1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one

C16H16O5 — CID 14160605

IUPAC1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
SMILESCOc1cc(O)ccc1C(O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,16-18,20H,8H2,1H3
InChIKeyBAVJPTQBNBQJFK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.95
Rot. Bonds5

About 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one

1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one (PubChem CID 14160605) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
PubChem CID14160605
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
SMILESCOc1cc(O)ccc1C(O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,16-18,20H,8H2,1H3
InChIKeyBAVJPTQBNBQJFK-UHFFFAOYSA-N
XLogP1.95
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
3-methoxy-4-(2-methylpentan-3-yl)phenol
CID 138474413
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
1-(4-hydroxy-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873959
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-3-methoxyphenol
CID 171261323
4-(2,5-dimethylhexan-3-yl)-3-methoxyphenol
CID 170154236
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
CID 11989799
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838138

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one (CID 14160605) is 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one is COc1cc(O)ccc1C(O)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one?
The InChIKey is BAVJPTQBNBQJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-21-15-9-12(18)6-7-13(15)16(20)14(19)8-10-2-4-11(17)5-3-10/h2-7,9,16-18,20H,8H2,1H3.
What are the key properties of 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one?
1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one has a molecular weight of 288.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 14160605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).