(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride

C8H9ClO3 — CID 141322731

IUPAC(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H/t7-;/m0./s1
InChIKeyHVLVEEDEXQWMGZ-FJXQXJEOSA-N
MW188.61 g/mol
LogP1.23
Rot. Bonds2

About (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride

(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride (PubChem CID 141322731) has the molecular formula C8H9ClO3 and a molecular weight of 188.61 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
PubChem CID141322731
Molecular FormulaC8H9ClO3
Molecular Weight188.61 g/mol
Exact Mass188.02
IUPAC Name(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H/t7-;/m0./s1
InChIKeyHVLVEEDEXQWMGZ-FJXQXJEOSA-N
XLogP1.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
calcium;magnesium;hydride;(2R)-2-hydroxy-2-phenylacetic acid
CID 174709694

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride?
The IUPAC name of (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride (CID 141322731) is (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride?
The canonical SMILES for (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride is Cl.O=C(O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride?
The InChIKey is HVLVEEDEXQWMGZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8O3.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride?
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 141322731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).