3-[(3-methoxyphenyl)methyl]benzoic acid

C15H14O3 — CID 86242874

IUPAC3-[(3-methoxyphenyl)methyl]benzoic acid
SMILESCOc1cccc(Cc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14O3/c1-18-14-7-3-5-12(10-14)8-11-4-2-6-13(9-11)15(16)17/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyJYWJBUHYIQKHHJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.98
Rot. Bonds4

About 3-[(3-methoxyphenyl)methyl]benzoic acid

3-[(3-methoxyphenyl)methyl]benzoic acid (PubChem CID 86242874) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]benzoic acid
PubChem CID86242874
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-[(3-methoxyphenyl)methyl]benzoic acid
SMILESCOc1cccc(Cc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H14O3/c1-18-14-7-3-5-12(10-14)8-11-4-2-6-13(9-11)15(16)17/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyJYWJBUHYIQKHHJ-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
1-[(3-methoxyphenyl)methyl]pyridin-1-ium-3-carboxylic acid
CID 69331585
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-[1,2-bis(3-methoxyphenyl)ethoxycarbonyl]benzoic acid
CID 69410109
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
CID 28604689
1-[(3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103341
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
3-chloro-4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 102670098

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]benzoic acid?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]benzoic acid (CID 86242874) is 3-[(3-methoxyphenyl)methyl]benzoic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]benzoic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]benzoic acid is COc1cccc(Cc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]benzoic acid?
The InChIKey is JYWJBUHYIQKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-18-14-7-3-5-12(10-14)8-11-4-2-6-13(9-11)15(16)17/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 3-[(3-methoxyphenyl)methyl]benzoic acid?
3-[(3-methoxyphenyl)methyl]benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]benzoic acid is sourced from PubChem (CID 86242874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).