(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid

C9H9ClO3 — CID 39240389

IUPAC(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)Cc1cccc(Cl)c1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyLTPLLXQULCUYHJ-QMMMGPOBSA-N
MW200.62 g/mol
LogP1.33
Rot. Bonds3

About (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid

(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid (PubChem CID 39240389) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
PubChem CID39240389
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)Cc1cccc(Cl)c1
InChIInChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1
InChIKeyLTPLLXQULCUYHJ-QMMMGPOBSA-N
XLogP1.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
2-[(3-chlorophenyl)methyl]-4-fluorobutanoic acid
CID 80694134
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2S)-3-(3-chlorophenyl)-2-phenylsulfanylpropanoic acid
CID 100534047
3-(3-chlorophenyl)-2-ethoxypropanoic acid
CID 84726077
2-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793205
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
2-[(3-chlorophenyl)methyl]-3-(2,4-dichlorophenyl)propanoic acid
CID 60794211
(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905409

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid (CID 39240389) is (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid is O=C(O)[C@@H](O)Cc1cccc(Cl)c1.
What is the InChIKey of (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
The InChIKey is LTPLLXQULCUYHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid?
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid has a molecular weight of 200.62 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 39240389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).