Phenols

3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone

3,4-二羟基-3-甲氧基苯丙酮

PHY-NP-15539 · Natural product research catalog

Catalog number	PHY-NP-15539
CAS number	2196-18-1
Molecular formula	C₁₀H₁₂O₄
Molecular weight	196.202 g/mol
Chemical class	Phenols
Main reported source	Morinda citrifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone is listed in the Phenols section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILES	COC1=C(C=CC(=C1)C(=O)CCO)O
InChIKey	NXCPMSUBVRGTSE-UHFFFAOYSA-N
Subclass / scaffold	酚羟基×1
PubChem CID	75142

Computed properties

Exact mass (Da)	196.0736	Predicted LogP	0.9659
Predicted TPSA (Å²)	66.76	H-bond donors	2
H-bond acceptors	4	Rotatable bonds	4

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.3
Synthetic accessibility score	1.91
QED score	0.704
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
Parent SMILES	COc1cc(C(=O)CCO)ccc1O
Parent formula	C₁₀H₁₂O₄
Parent molecular weight	196.202
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Morinda citrifolia
Reported source families	Asteraceae; Rubiaceae; Pinaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Morinda citrifolia[2]; Abies pinsapo subsp. marocana[1]; Aeschynanthus bracteatus[1]; Ailanthus altissima[1]; Anastatica hierochuntica[1]; Aristolochia elegans[1]; Aristolochia littoralis[1]; Balanites aegyptiaca[1]; Balanites aegyptiacus[1]; Berberis koreana[1]; Biancaea decapetala[1]; Camellia sinensis[1]; Centaurea scoparia[1]; Citrullus colocynthis[1]; Crepis mollis[1]
All reported source families	Asteraceae[3]; Rubiaceae[2]; Pinaceae[2]; Simaroubaceae[2]; Aristolochiaceae[2]; Zygophyllaceae[2]
LOTUS species records	34
LOTUS reference records	32
COCONUT occurrence records	Abies pinsapo subsp. marocana; Achyranthes aspera; Acinetobacter baumannii; Acinetobacter calcoaceticus; Aeschynanthus bracteatus; Ailanthus altissima; Alcea rosea; Alcyonium utinomii; Aldisa sanguinea; Alpinia blepharocalyx; Anaphalis triplinervis; Anastatica hierochuntica; Anguilla japonica; Aonidiella aurantii; Aplysina archeri; Araiostegiella perdurans; Aralidium pinnatifidum; Aristolochia elegans; Aristolochia littoralis; Aspergillus carneus; Aspergillus striatus; Balanites aegyptiaca; Balanites aegyptiacus; Balanops australiana; Barnettia kerrii; Berberis koreana; Berberis turcomanica; Bersama swinnyi; Betula davurica; Biancaea decapetala
COCONUT organism records	139
COCONUT identifier	CNP0268766.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.