2-chloro-2-(2-methylphenyl)acetic acid

C9H9ClO2 — CID 23338325

IUPAC2-chloro-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(Cl)C(=O)O
InChIInChI=1S/C9H9ClO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChIKeyQOESNHGGXINBBA-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-2-(2-methylphenyl)acetic acid

2-chloro-2-(2-methylphenyl)acetic acid (PubChem CID 23338325) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-chloro-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(2-methylphenyl)acetic acid
PubChem CID23338325
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-chloro-2-(2-methylphenyl)acetic acid
SMILESCc1ccccc1C(Cl)C(=O)O
InChIInChI=1S/C9H9ClO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChIKeyQOESNHGGXINBBA-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
2-(5-bromo-2-methylphenyl)-2-chloroacetic acid
CID 83554540
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-[hydroxy-(2-methylphenyl)methyl]-3-methylbutanoic acid
CID 62396840
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 79472078
2-bromo-2-(2-methylphenyl)acetyl chloride
CID 130740286
5-chloro-5-(2-methylphenyl)pentan-2-one
CID 82126784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-chloro-2-(2-methylphenyl)acetic acid (CID 23338325) is 2-chloro-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-chloro-2-(2-methylphenyl)acetic acid is Cc1ccccc1C(Cl)C(=O)O.
What is the InChIKey of 2-chloro-2-(2-methylphenyl)acetic acid?
The InChIKey is QOESNHGGXINBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H,11,12).
What are the key properties of 2-chloro-2-(2-methylphenyl)acetic acid?
2-chloro-2-(2-methylphenyl)acetic acid has a molecular weight of 184.62 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 23338325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).