2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid

C16H16O4 — CID 176513640

IUPAC2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2cc(CC(=O)O)ccc2OC)cc1
InChIInChI=1S/C16H16O4/c1-19-13-6-4-12(5-7-13)14-9-11(10-16(17)18)3-8-15(14)20-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRGICLIQIRWOCQS-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid

2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid (PubChem CID 176513640) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
PubChem CID176513640
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
SMILESCOc1ccc(-c2cc(CC(=O)O)ccc2OC)cc1
InChIInChI=1S/C16H16O4/c1-19-13-6-4-12(5-7-13)14-9-11(10-16(17)18)3-8-15(14)20-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyRGICLIQIRWOCQS-UHFFFAOYSA-N
XLogP3.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic 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-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
CID 176513636
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-(4-methoxy-3-nitrophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
CID 69463616
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-[3-(iodomethyl)-4-methoxyphenyl]acetic acid
CID 147269305
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid (CID 176513640) is 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid is COc1ccc(-c2cc(CC(=O)O)ccc2OC)cc1.
What is the InChIKey of 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid?
The InChIKey is RGICLIQIRWOCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-6-4-12(5-7-13)14-9-11(10-16(17)18)3-8-15(14)20-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid?
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 176513640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).