2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid

C9H8ClFO2 — CID 119005832

IUPAC2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H8ClFO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3H2,1H3,(H,12,13)
InChIKeyXPGOIJCIDMBMFA-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.41
Rot. Bonds2

About 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid

2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid (PubChem CID 119005832) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
PubChem CID119005832
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
SMILESCc1cc(CC(=O)O)c(Cl)cc1F
InChIInChI=1S/C9H8ClFO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3H2,1H3,(H,12,13)
InChIKeyXPGOIJCIDMBMFA-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chloro-5-methylphenyl)acetic acid
CID 121417177
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163441
2-(2-chloro-5-cyano-4-fluorophenyl)acetic acid
CID 119022246
2-[1-(2-chloro-4-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]acetic acid
CID 112734696
4-(2-chloro-4-fluoro-5-methylphenyl)-4,4-difluorobutanoic acid
CID 81045453
3-(2-chloro-4-fluoro-5-methylanilino)propanoic acid
CID 130520765
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
4-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]butanoic acid
CID 117045167
2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 81045571
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
3-(2-chloro-4,5-difluorophenyl)-2-oxopropanoic acid
CID 19761165
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid (CID 119005832) is 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid is Cc1cc(CC(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid?
The InChIKey is XPGOIJCIDMBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5-2-6(3-9(12)13)7(10)4-8(5)11/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid?
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid has a molecular weight of 202.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid is sourced from PubChem (CID 119005832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).