4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid

C15H13FO3 — CID 53225605

IUPAC4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H13FO3/c1-9-3-5-11(16)8-13(9)12-6-4-10(15(17)18)7-14(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyLWRSBUVCQQHPMI-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid

4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid (PubChem CID 53225605) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
PubChem CID53225605
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C15H13FO3/c1-9-3-5-11(16)8-13(9)12-6-4-10(15(17)18)7-14(12)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyLWRSBUVCQQHPMI-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

4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
4-[(4-fluoro-2-methylbenzoyl)amino]-3-methoxybenzoic acid
CID 137374056
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid (CID 53225605) is 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1-c1cc(F)ccc1C.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid?
The InChIKey is LWRSBUVCQQHPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-3-5-11(16)8-13(9)12-6-4-10(15(17)18)7-14(12)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid?
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic 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-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid is sourced from PubChem (CID 53225605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).