2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid

C15H12F2O2 — CID 172650229

IUPAC2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2O2/c1-9-2-3-10(7-15(18)19)14(4-9)11-5-12(16)8-13(17)6-11/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyWJSSTXPGMWBGQP-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.57
Rot. Bonds3

About 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid

2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid (PubChem CID 172650229) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
PubChem CID172650229
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H12F2O2/c1-9-2-3-10(7-15(18)19)14(4-9)11-5-12(16)8-13(17)6-11/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyWJSSTXPGMWBGQP-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
CID 53225648
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[2-(iodomethyl)-5-methylphenyl]acetic acid
CID 91883927
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
CID 148600278
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566
2-[2-(3-bromopropanoyl)-5-methylphenyl]acetic acid
CID 118825121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid (CID 172650229) is 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid is Cc1ccc(CC(=O)O)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid?
The InChIKey is WJSSTXPGMWBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9-2-3-10(7-15(18)19)14(4-9)11-5-12(16)8-13(17)6-11/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid?
2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid has a molecular weight of 262.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)-4-methylphenyl]acetic acid is sourced from PubChem (CID 172650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).