2-(4-chlorophenyl)-2-hydroxyacetic acid

C8H7ClO3 — CID 10299

IUPAC2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKeyBWSFWXSSALIZAU-UHFFFAOYSA-N
MW186.59 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-chlorophenyl)-2-hydroxyacetic acid

2-(4-chlorophenyl)-2-hydroxyacetic acid (PubChem CID 10299) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-hydroxyacetic acid
PubChem CID10299
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKeyBWSFWXSSALIZAU-UHFFFAOYSA-N
XLogP1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-hydroxyacetic acid (CID 10299) is 2-(4-chlorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-hydroxyacetic acid?
The InChIKey is BWSFWXSSALIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12).
What are the key properties of 2-(4-chlorophenyl)-2-hydroxyacetic acid?
2-(4-chlorophenyl)-2-hydroxyacetic acid has a molecular weight of 186.59 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 10299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).