2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid

C16H16O4 — CID 83951203

IUPAC2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C16H16O4/c1-20-15-8-3-2-5-12(15)10-14(16(18)19)11-6-4-7-13(17)9-11/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyFJTWGRIPICNTIQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.81
Rot. Bonds5

About 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid

2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 83951203) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
PubChem CID83951203
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1cccc(O)c1
InChIInChI=1S/C16H16O4/c1-20-15-8-3-2-5-12(15)10-14(16(18)19)11-6-4-7-13(17)9-11/h2-9,14,17H,10H2,1H3,(H,18,19)
InChIKeyFJTWGRIPICNTIQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955617
3-(2-butoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83954502
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid (CID 83951203) is 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is FJTWGRIPICNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-15-8-3-2-5-12(15)10-14(16(18)19)11-6-4-7-13(17)9-11/h2-9,14,17H,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid?
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 83951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).