2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid

C16H15FO3 — CID 106681041

IUPAC2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)cc(C)c1-c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)11-4-5-13(17)12(8-11)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyZYHFGENTRKRPCH-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.82
Rot. Bonds3

About 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid

2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid (PubChem CID 106681041) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
PubChem CID106681041
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)cc(C)c1-c1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)11-4-5-13(17)12(8-11)16(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyZYHFGENTRKRPCH-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

4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882164
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
2-chloro-5-(2,4,6-trimethylphenyl)benzoic acid
CID 54912541
methyl 3-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoate
CID 106681057
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
2-fluoro-5-(2-methoxypyrimidin-5-yl)benzoic acid
CID 112747590
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid (CID 106681041) is 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid is COc1cc(C)cc(C)c1-c1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
The InChIKey is ZYHFGENTRKRPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-9-6-10(2)15(14(7-9)20-3)11-4-5-13(17)12(8-11)16(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid?
2-fluoro-5-(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 2-fluoro-5-(2-methoxy-4,6-dimethylphenyl)benzoic acid is sourced from PubChem (CID 106681041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).