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

C9H9ClO2 — CID 11074079

IUPAC(2S)-2-(3-chlorophenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKeyYRUBJDXEYFCYCX-LURJTMIESA-N
MW184.62 g/mol
LogP2.53
Rot. Bonds2

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

(2S)-2-(3-chlorophenyl)propanoic acid (PubChem CID 11074079) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)propanoic acid
PubChem CID11074079
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(2S)-2-(3-chlorophenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKeyYRUBJDXEYFCYCX-LURJTMIESA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)propanoic acid?
The IUPAC name of (2S)-2-(3-chlorophenyl)propanoic acid (CID 11074079) is (2S)-2-(3-chlorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-(3-chlorophenyl)propanoic acid is C[C@H](C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenyl)propanoic acid?
The InChIKey is YRUBJDXEYFCYCX-LURJTMIESA-N. The full InChI is InChI=1S/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)propanoic acid?
(2S)-2-(3-chlorophenyl)propanoic acid has a molecular weight of 184.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)propanoic acid is sourced from PubChem (CID 11074079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).