(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride

C9H10Cl2O2 — CID 87933101

IUPAC(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](Cl)Cc1ccccc1
InChIInChI=1S/C9H9ClO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,12);1H/t8-;/m1./s1
InChIKeyMUAVFXDABPDXMJ-DDWIOCJRSA-N
MW221.08 g/mol
LogP2.34
Rot. Bonds3

About (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride

(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride (PubChem CID 87933101) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
PubChem CID87933101
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
SMILESCl.O=C(O)[C@H](Cl)Cc1ccccc1
InChIInChI=1S/C9H9ClO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,12);1H/t8-;/m1./s1
InChIKeyMUAVFXDABPDXMJ-DDWIOCJRSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
3-chloro-2-oxo-4-phenylbutanoic acid
CID 165024954
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-chloro-2-methylidene-4-phenylbutanoic acid
CID 23372429
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
azane;methyl (2R)-2-chloro-3-phenylpropanoate
CID 135340026
1-chloro-2-phenylethanol;hydrochloride
CID 174648603
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 15533413
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride (CID 87933101) is (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride is Cl.O=C(O)[C@H](Cl)Cc1ccccc1.
What is the InChIKey of (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride?
The InChIKey is MUAVFXDABPDXMJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9ClO2.ClH/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,11,12);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride?
(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride has a molecular weight of 221.08 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 87933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).