2-benzyl-2-hydroxybutanoic acid

C11H14O3 — CID 22013212

IUPAC2-benzyl-2-hydroxybutanoic acid
SMILESCCC(O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-11(14,10(12)13)8-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)
InChIKeyCISORJLADCPFGB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds4

About 2-benzyl-2-hydroxybutanoic acid

2-benzyl-2-hydroxybutanoic acid (PubChem CID 22013212) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-benzyl-2-hydroxybutanoic acid.

Molecular Properties

Compound Name2-benzyl-2-hydroxybutanoic acid
PubChem CID22013212
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-benzyl-2-hydroxybutanoic acid
SMILESCCC(O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O3/c1-2-11(14,10(12)13)8-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13)
InChIKeyCISORJLADCPFGB-UHFFFAOYSA-N
XLogP1.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
lithium;potassium;2-benzyl-2-ethylpropanedioic acid;hydride
CID 174967849
2-amino-2,3-dibenzyl-3-hydroxypentanoic acid
CID 174549992
2-benzyl-2-ethyl-3-oxohexanoic acid
CID 154135206
azane;3-benzylpentan-3-ol
CID 173295411
2-amino-2-benzylpentanoic acid
CID 24974249
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557
2-benzyl-2-methylbutanoate
CID 53446573
(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-hydroxybutanoic acid?
The IUPAC name of 2-benzyl-2-hydroxybutanoic acid (CID 22013212) is 2-benzyl-2-hydroxybutanoic acid.
What is the SMILES notation for 2-benzyl-2-hydroxybutanoic acid?
The canonical SMILES for 2-benzyl-2-hydroxybutanoic acid is CCC(O)(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-2-hydroxybutanoic acid?
The InChIKey is CISORJLADCPFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-11(14,10(12)13)8-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H,12,13).
What are the key properties of 2-benzyl-2-hydroxybutanoic acid?
2-benzyl-2-hydroxybutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-hydroxybutanoic acid is sourced from PubChem (CID 22013212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).