(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid

C10H11ClO3 — CID 156875772

IUPAC(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H11ClO3/c1-6(12)9(10(13)14)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeyBMJPGVOMWNKJOJ-HZGVNTEJSA-N
MW214.65 g/mol
LogP1.89
Rot. Bonds3

About (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid

(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid (PubChem CID 156875772) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
PubChem CID156875772
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H11ClO3/c1-6(12)9(10(13)14)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1
InChIKeyBMJPGVOMWNKJOJ-HZGVNTEJSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
3-(2-chlorophenyl)butanoic acid
CID 54775987
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid (CID 156875772) is (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid is C[C@@H](O)[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid?
The InChIKey is BMJPGVOMWNKJOJ-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6(12)9(10(13)14)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3,(H,13,14)/t6-,9-/m1/s1.
What are the key properties of (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid?
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid is sourced from PubChem (CID 156875772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).