(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid

C12H16O3 — CID 39241972

IUPAC(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C[C@H](O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCEPHNDIROZUJAT-NSHDSACASA-N
MW208.26 g/mol
LogP1.80
Rot. Bonds4

About (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid

(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 39241972) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID39241972
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C[C@H](O)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCEPHNDIROZUJAT-NSHDSACASA-N
XLogP1.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
CID 69118596
(2R)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329583
(2S)-2-(aminomethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 42329580
(3R,6S)-2,3,6,7-tetrahydroxy-1,8-bis(4-propan-2-ylphenyl)octane-4,5-dione
CID 54178101
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2S)-2-methyl-3-(4-propan-2-ylphenyl)propanoate
CID 6956821
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
1-(4-propan-2-ylphenyl)pentane-2,3-diol
CID 103454563
2-amino-3-(4-propan-2-ylphenyl)propanamide
CID 64990650
(2S)-2-(methanethioylamino)-3-(4-propan-2-ylphenyl)propanoic acid
CID 174702428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid (CID 39241972) is (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(C[C@H](O)C(=O)O)cc1.
What is the InChIKey of (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is CEPHNDIROZUJAT-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)10-5-3-9(4-6-10)7-11(13)12(14)15/h3-6,8,11,13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid?
(2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 39241972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).