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

C15H13FO3 — CID 53226480

IUPAC3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2C)c(F)c1
InChIInChI=1S/C15H13FO3/c1-9-11(4-3-5-12(9)15(17)18)13-7-6-10(19-2)8-14(13)16/h3-8H,1-2H3,(H,17,18)
InChIKeyDKWGJHFNKPOTQE-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

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

3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid (PubChem CID 53226480) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
PubChem CID53226480
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2C)c(F)c1
InChIInChI=1S/C15H13FO3/c1-9-11(4-3-5-12(9)15(17)18)13-7-6-10(19-2)8-14(13)16/h3-8H,1-2H3,(H,17,18)
InChIKeyDKWGJHFNKPOTQE-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

2-methyl-3-(2,4,5-trifluorophenyl)benzoic acid
CID 115503084
3-ethoxycarbonyl-2-(2-fluoro-4-methoxyphenyl)benzoic acid
CID 169449776
3-(2,4-difluoro-5-methylphenyl)-2-methylbenzoic acid
CID 79731849
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
3-(3-methoxycarbonyl-2-methylphenyl)-2-methylbenzoic acid
CID 175198121
3-(2,4-dimethoxyphenyl)-2-methylbenzoate
CID 86307310
3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
3-(2-fluoro-3-hydroxyphenyl)-2-methylbenzoic acid
CID 90271210
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid (CID 53226480) is 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid is COc1ccc(-c2cccc(C(=O)O)c2C)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid?
The InChIKey is DKWGJHFNKPOTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-11(4-3-5-12(9)15(17)18)13-7-6-10(19-2)8-14(13)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid?
3-(2-fluoro-4-methoxyphenyl)-2-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 3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid is sourced from PubChem (CID 53226480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).