(2R)-2-(2-chlorophenyl)-2-hydroxyacetate

C8H6ClO3- — CID 6922876

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])[C@H](O)c1ccccc1Cl
InChIInChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/p-1/t7-/m1/s1
InChIKeyRWOLDZZTBNYTMS-SSDOTTSWSA-M
MW185.59 g/mol
LogP0.12
Rot. Bonds2

About (2R)-2-(2-chlorophenyl)-2-hydroxyacetate

(2R)-2-(2-chlorophenyl)-2-hydroxyacetate (PubChem CID 6922876) has the molecular formula C8H6ClO3- and a molecular weight of 185.59 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
PubChem CID6922876
Molecular FormulaC8H6ClO3-
Molecular Weight185.59 g/mol
Exact Mass185.00
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
SMILESO=C([O-])[C@H](O)c1ccccc1Cl
InChIInChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/p-1/t7-/m1/s1
InChIKeyRWOLDZZTBNYTMS-SSDOTTSWSA-M
XLogP0.12
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-(2-chlorophenyl)butanoate
CID 22456439
azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
CID 70117945
disodium;2-hydroxy-2-(2-oxidophenyl)acetate
CID 59574987
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
(2S)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483361
(2R)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483360
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxyacetate (CID 6922876) is (2R)-2-(2-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxyacetate is O=C([O-])[C@H](O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
The InChIKey is RWOLDZZTBNYTMS-SSDOTTSWSA-M. The full InChI is InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxyacetate?
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate has a molecular weight of 185.59 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 6922876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).