2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid

C16H15FO3 — CID 166161146

IUPAC2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C16H15FO3/c1-11-13(9-15(18)19)7-8-14(16(11)17)20-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyQWGCNOOZJVGGNC-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid

2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid (PubChem CID 166161146) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
PubChem CID166161146
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
SMILESCc1c(CC(=O)O)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C16H15FO3/c1-11-13(9-15(18)19)7-8-14(16(11)17)20-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyQWGCNOOZJVGGNC-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-(3-acetyl-2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 91864276
2-(6-acetyl-2-methyl-3-phenylmethoxyphenyl)acetic acid
CID 91863973
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
2-(2-fluoro-5-phenyl-3-phenylmethoxyphenyl)acetic acid
CID 174526081
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
ethyl 6-acetyl-2-fluoro-3-phenylmethoxybenzoate
CID 91864113

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid?
The IUPAC name of 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid (CID 166161146) is 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid is Cc1c(CC(=O)O)ccc(OCc2ccccc2)c1F.
What is the InChIKey of 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid?
The InChIKey is QWGCNOOZJVGGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-13(9-15(18)19)7-8-14(16(11)17)20-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid?
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid has a molecular weight of 274.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 166161146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).