3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one

C17H18O4 — CID 11989799

IUPAC3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
SMILESCOc1cc(CC(O)C(=O)Cc2ccccc2)ccc1O
InChIInChI=1S/C17H18O4/c1-21-17-11-13(7-8-14(17)18)10-16(20)15(19)9-12-5-3-2-4-6-12/h2-8,11,16,18,20H,9-10H2,1H3
InChIKeyWVPWCVLONNFAEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds6

About 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one

3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one (PubChem CID 11989799) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
PubChem CID11989799
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one
SMILESCOc1cc(CC(O)C(=O)Cc2ccccc2)ccc1O
InChIInChI=1S/C17H18O4/c1-21-17-11-13(7-8-14(17)18)10-16(20)15(19)9-12-5-3-2-4-6-12/h2-8,11,16,18,20H,9-10H2,1H3
InChIKeyWVPWCVLONNFAEL-UHFFFAOYSA-N
XLogP2.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-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-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
CID 11989921
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
benzyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 70209453
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
CID 24788998
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2,7-bis[(4-hydroxy-3-methoxyphenyl)methyl]octanedioic acid
CID 122512055
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
CID 71398900
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one?
The IUPAC name of 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one (CID 11989799) is 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one.
What is the SMILES notation for 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one?
The canonical SMILES for 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one is COc1cc(CC(O)C(=O)Cc2ccccc2)ccc1O.
What is the InChIKey of 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one?
The InChIKey is WVPWCVLONNFAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-21-17-11-13(7-8-14(17)18)10-16(20)15(19)9-12-5-3-2-4-6-12/h2-8,11,16,18,20H,9-10H2,1H3.
What are the key properties of 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one?
3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1-phenylbutan-2-one is sourced from PubChem (CID 11989799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).