(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid

C10H12O3 — CID 21123439

IUPAC(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@@](C)(O)C(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyLXGWCXBGZLLXHZ-SNVBAGLBSA-N
MW180.20 g/mol
LogP1.29
Rot. Bonds2

About (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid

(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid (PubChem CID 21123439) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
PubChem CID21123439
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc([C@@](C)(O)C(=O)O)cc1
InChIInChI=1S/C10H12O3/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)/t10-/m1/s1
InChIKeyLXGWCXBGZLLXHZ-SNVBAGLBSA-N
XLogP1.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
2-hydroxy-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 101487578
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid (CID 21123439) is (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid is Cc1ccc([C@@](C)(O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid?
The InChIKey is LXGWCXBGZLLXHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-3-5-8(6-4-7)10(2,13)9(11)12/h3-6,13H,1-2H3,(H,11,12)/t10-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid?
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.29, 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-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 21123439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).