4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid

C16H15FO3 — CID 106681044

IUPAC4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)cc(C)c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)13-8-11(17)4-5-12(13)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyOFXWEKDUPHJHIT-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.82
Rot. Bonds3

About 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid

4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid (PubChem CID 106681044) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
PubChem CID106681044
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)cc(C)c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)13-8-11(17)4-5-12(13)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyOFXWEKDUPHJHIT-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-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681041
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
4-(5-fluoro-2-hydroxyphenyl)-2-methoxybenzoic acid
CID 53225720
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
CID 81431051
2-amino-5-(2-methoxy-4,6-dimethylphenyl)thiophene-3-carboxylic acid
CID 98020900
2-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479713

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid (CID 106681044) is 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid is COc1cc(C)cc(C)c1-c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The InChIKey is OFXWEKDUPHJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)13-8-11(17)4-5-12(13)16(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
4-fluoro-2-(2-methoxy-4,6-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 4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid is sourced from PubChem (CID 106681044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).