4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid

C15H13FO3 — CID 53211212

IUPAC4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(F)ccc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13FO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyRNBXRXBEROIREL-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

About 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid

4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid (PubChem CID 53211212) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
PubChem CID53211212
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
SMILESCOc1ccc(-c2cc(F)ccc2C(=O)O)c(C)c1
InChIInChI=1S/C15H13FO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyRNBXRXBEROIREL-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-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-chloro-4-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226266
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
CID 81304312
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid (CID 53211212) is 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid is COc1ccc(-c2cc(F)ccc2C(=O)O)c(C)c1.
What is the InChIKey of 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid?
The InChIKey is RNBXRXBEROIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-7-11(19-2)4-6-12(9)14-8-10(16)3-5-13(14)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid?
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic 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-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid is sourced from PubChem (CID 53211212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).