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

C8H7ClO3 — CID 785083

IUPAC(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](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)/t7-/m0/s1
InChIKeyBWSFWXSSALIZAU-ZETCQYMHSA-N
MW186.59 g/mol
LogP1.46
Rot. Bonds2

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

(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid (PubChem CID 785083) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
PubChem CID785083
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Name(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@@H](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)/t7-/m0/s1
InChIKeyBWSFWXSSALIZAU-ZETCQYMHSA-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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Related Compounds

2-[4-(4-chlorophenyl)phenyl]-2-hydroxyacetic acid
CID 19793104
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
CID 70480259
CID 70480259
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid (CID 785083) is (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid is O=C(O)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid?
The InChIKey is BWSFWXSSALIZAU-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid?
(2S)-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 (2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 785083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).