(2R)-2-hydroxy-2-phenylpropanoic acid

C9H10O3 — CID 736858

IUPAC(2R)-2-hydroxy-2-phenylpropanoic acid
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)/t9-/m1/s1
InChIKeyNWCHELUCVWSRRS-SECBINFHSA-N
MW166.18 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-hydroxy-2-phenylpropanoic acid

(2R)-2-hydroxy-2-phenylpropanoic acid (PubChem CID 736858) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylpropanoic acid
PubChem CID736858
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2R)-2-hydroxy-2-phenylpropanoic acid
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)/t9-/m1/s1
InChIKeyNWCHELUCVWSRRS-SECBINFHSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
(2S)-2-hydroxy-4,4-dimethyl-2-phenylpentan-3-one
CID 13275946
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
CID 143590159
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-phenylpropanoic acid (CID 736858) is (2R)-2-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-phenylpropanoic acid is C[C@](O)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylpropanoic acid?
The InChIKey is NWCHELUCVWSRRS-SECBINFHSA-N. 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)/t9-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-phenylpropanoic acid?
(2R)-2-hydroxy-2-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 736858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).