3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid

C17H18O4 — CID 83956081

IUPAC3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C17H18O4/c1-11-8-14(21-2)6-7-15(11)16(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,16,18H,10H2,1-2H3,(H,19,20)
InChIKeySFSQWXCBHFTATP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds5

About 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid

3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid (PubChem CID 83956081) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
PubChem CID83956081
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C17H18O4/c1-11-8-14(21-2)6-7-15(11)16(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,16,18H,10H2,1-2H3,(H,19,20)
InChIKeySFSQWXCBHFTATP-UHFFFAOYSA-N
XLogP3.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid 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

2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 83956080
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83950554
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423
2-(4-methoxy-2-methylphenyl)-3-(4-nitrophenyl)propanoic acid
CID 112721183
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-(2-methyl-4-propoxyphenyl)-3-(3-nitrophenyl)propanoic acid
CID 112721288
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid (CID 83956081) is 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid is COc1ccc(C(Cc2cccc(O)c2)C(=O)O)c(C)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The InChIKey is SFSQWXCBHFTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-8-14(21-2)6-7-15(11)16(17(19)20)10-12-4-3-5-13(18)9-12/h3-9,16,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 83956081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).