5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid

C16H15FO3 — CID 83067813

IUPAC5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
SMILESCOc1c(C)cc(-c2ccc(F)cc2C(=O)O)cc1C
InChIInChI=1S/C16H15FO3/c1-9-6-11(7-10(2)15(9)20-3)13-5-4-12(17)8-14(13)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyURFKUMJKDBBBTM-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.82
Rot. Bonds3

About 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid

5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid (PubChem CID 83067813) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
PubChem CID83067813
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
SMILESCOc1c(C)cc(-c2ccc(F)cc2C(=O)O)cc1C
InChIInChI=1S/C16H15FO3/c1-9-6-11(7-10(2)15(9)20-3)13-5-4-12(17)8-14(13)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyURFKUMJKDBBBTM-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
4-fluoro-2-(4-methoxy-3,5-dimethylphenyl)aniline
CID 83068852
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
CID 83068115
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-(4-ethoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53227867
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid (CID 83067813) is 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid is COc1c(C)cc(-c2ccc(F)cc2C(=O)O)cc1C.
What is the InChIKey of 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid?
The InChIKey is URFKUMJKDBBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-9-6-11(7-10(2)15(9)20-3)13-5-4-12(17)8-14(13)16(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid?
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 83067813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).