(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid

C13H18O3 — CID 129412348

IUPAC(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
SMILESCC(C)(C)c1ccc([C@H](CO)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-13(2,3)10-6-4-9(5-7-10)11(8-14)12(15)16/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDLIZJBHHDJRLIM-NSHDSACASA-N
MW222.28 g/mol
LogP2.14
Rot. Bonds3

About (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid

(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid (PubChem CID 129412348) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
PubChem CID129412348
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
SMILESCC(C)(C)c1ccc([C@H](CO)C(=O)O)cc1
InChIInChI=1S/C13H18O3/c1-13(2,3)10-6-4-9(5-7-10)11(8-14)12(15)16/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDLIZJBHHDJRLIM-NSHDSACASA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-5-oxohexanoic acid
CID 70455282
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-(4-tert-butylphenyl)-3-[4-(dimethylamino)phenyl]propanoic acid
CID 82141249
3-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117116162
magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
2-(4-tert-butylphenyl)sulfanyl-3-hydroxypropanoic acid
CID 60861617
2-(4-tert-butylphenyl)pentanamide
CID 10728355
2-(4-tert-butylphenyl)-3-[3-(dimethylamino)phenyl]propanoic acid
CID 82141169
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid (CID 129412348) is (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid is CC(C)(C)c1ccc([C@H](CO)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid?
The InChIKey is DLIZJBHHDJRLIM-NSHDSACASA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2,3)10-6-4-9(5-7-10)11(8-14)12(15)16/h4-7,11,14H,8H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid?
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 129412348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).