4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid

C16H15FO3 — CID 28932941

IUPAC4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCc1ccccc1F
InChIInChI=1S/C16H15FO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyNOMVXZIYMBYGLO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.72
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid

4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid (PubChem CID 28932941) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
PubChem CID28932941
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(C)c1OCc1ccccc1F
InChIInChI=1S/C16H15FO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyNOMVXZIYMBYGLO-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
[4-[(2-fluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933284
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
4-[2-(2-fluorophenoxy)ethoxy]-3-methoxy-5-methylbenzoic acid
CID 145364125
4-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-3-methylbenzoic acid
CID 17059568
4-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 66544243

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid (CID 28932941) is 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(C)c1OCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid?
The InChIKey is NOMVXZIYMBYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid?
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid is sourced from PubChem (CID 28932941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).