2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid

C10H9ClO4 — CID 19743044

IUPAC2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCl)c1ccccc1C(O)C(=O)O
InChIInChI=1S/C10H9ClO4/c11-5-8(12)6-3-1-2-4-7(6)9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChIKeyCTOREASGQVYDQH-UHFFFAOYSA-N
MW228.63 g/mol
LogP1.23
Rot. Bonds4

About 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid

2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid (PubChem CID 19743044) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid
PubChem CID19743044
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(CCl)c1ccccc1C(O)C(=O)O
InChIInChI=1S/C10H9ClO4/c11-5-8(12)6-3-1-2-4-7(6)9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChIKeyCTOREASGQVYDQH-UHFFFAOYSA-N
XLogP1.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
CID 70117604
CID 70117604
2-[2-(3-chloro-2-oxopropyl)-3-ethylphenyl]-2-hydroxyacetic acid
CID 134657065
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
2-(2-bromo-3-propanoylphenyl)-2-hydroxyacetic acid
CID 119019109
2-[3-(chloromethyl)-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135740724
2-[3-(3-chloro-2-oxopropyl)-2-methylphenyl]-2-hydroxyacetic acid
CID 134657772
1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid
CID 174551173

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid (CID 19743044) is 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid is O=C(CCl)c1ccccc1C(O)C(=O)O.
What is the InChIKey of 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is CTOREASGQVYDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c11-5-8(12)6-3-1-2-4-7(6)9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15).
What are the key properties of 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid?
2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroacetyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 19743044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).