5-methoxy-2-(4-methoxyphenyl)benzoic acid

C15H14O4 — CID 2060525

IUPAC5-methoxy-2-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(OC)cc2C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-18-11-5-3-10(4-6-11)13-8-7-12(19-2)9-14(13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyGVQXUOINNLFQDI-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.07
Rot. Bonds4

About 5-methoxy-2-(4-methoxyphenyl)benzoic acid

5-methoxy-2-(4-methoxyphenyl)benzoic acid (PubChem CID 2060525) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)benzoic acid
PubChem CID2060525
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name5-methoxy-2-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(OC)cc2C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-18-11-5-3-10(4-6-11)13-8-7-12(19-2)9-14(13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyGVQXUOINNLFQDI-UHFFFAOYSA-N
XLogP3.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
2-[3-iodo-4-(3-iodophenyl)phenyl]-5-methoxybenzoic acid
CID 130342644
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
CID 57314775
5-methoxy-2-quinolin-2-ylbenzoic acid
CID 116644950

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)benzoic acid (CID 2060525) is 5-methoxy-2-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)benzoic acid is COc1ccc(-c2ccc(OC)cc2C(=O)O)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)benzoic acid?
The InChIKey is GVQXUOINNLFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-11-5-3-10(4-6-11)13-8-7-12(19-2)9-14(13)15(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)benzoic acid?
5-methoxy-2-(4-methoxyphenyl)benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 2060525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).