4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid

C15H13FO3 — CID 53226448

IUPAC4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
SMILESCOc1cccc(-c2ccc(C(=O)O)cc2C)c1F
InChIInChI=1S/C15H13FO3/c1-9-8-10(15(17)18)6-7-11(9)12-4-3-5-13(19-2)14(12)16/h3-8H,1-2H3,(H,17,18)
InChIKeyCMLPWHREYWDFGU-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

About 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid

4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid (PubChem CID 53226448) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
PubChem CID53226448
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
SMILESCOc1cccc(-c2ccc(C(=O)O)cc2C)c1F
InChIInChI=1S/C15H13FO3/c1-9-8-10(15(17)18)6-7-11(9)12-4-3-5-13(19-2)14(12)16/h3-8H,1-2H3,(H,17,18)
InChIKeyCMLPWHREYWDFGU-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
3-(2-methoxyphenyl)benzoic acid
CID 2759547

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid (CID 53226448) is 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid is COc1cccc(-c2ccc(C(=O)O)cc2C)c1F.
What is the InChIKey of 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid?
The InChIKey is CMLPWHREYWDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-8-10(15(17)18)6-7-11(9)12-4-3-5-13(19-2)14(12)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid?
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53226448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).