(2S)-2-hydroxy-2-phenylpropanoate

C9H9O3- — CID 6932633

IUPAC(2S)-2-hydroxy-2-phenylpropanoate
SMILESC[C@@](O)(C(=O)[O-])c1ccccc1
InChIInChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/p-1/t9-/m0/s1
InChIKeyNWCHELUCVWSRRS-VIFPVBQESA-M
MW165.17 g/mol
LogP-0.36
Rot. Bonds2

About (2S)-2-hydroxy-2-phenylpropanoate

(2S)-2-hydroxy-2-phenylpropanoate (PubChem CID 6932633) has the molecular formula C9H9O3- and a molecular weight of 165.17 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylpropanoate
PubChem CID6932633
Molecular FormulaC9H9O3-
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(2S)-2-hydroxy-2-phenylpropanoate
SMILESC[C@@](O)(C(=O)[O-])c1ccccc1
InChIInChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/p-1/t9-/m0/s1
InChIKeyNWCHELUCVWSRRS-VIFPVBQESA-M
XLogP-0.36
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
(2R)-3,3,3-trifluoro-2-methyl-2-phenylpropanoate
CID 101271066
calcium 2,2-diphenylpropanedioate
CID 153423965
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
3-hydroxy-1,1,3-triphenylbutan-2-one
CID 102141893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylpropanoate?
The IUPAC name of (2S)-2-hydroxy-2-phenylpropanoate (CID 6932633) is (2S)-2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylpropanoate?
The canonical SMILES for (2S)-2-hydroxy-2-phenylpropanoate is C[C@@](O)(C(=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylpropanoate?
The InChIKey is NWCHELUCVWSRRS-VIFPVBQESA-M. The full InChI is InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/p-1/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylpropanoate?
(2S)-2-hydroxy-2-phenylpropanoate has a molecular weight of 165.17 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 6932633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).