2-ethyl-2-hydroxy-3-phenylbutanoic acid

C12H16O3 — CID 79303573

IUPAC2-ethyl-2-hydroxy-3-phenylbutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-12(15,11(13)14)9(2)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H,13,14)
InChIKeyYDSRBDKNJKDCFB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.02
Rot. Bonds4

About 2-ethyl-2-hydroxy-3-phenylbutanoic acid

2-ethyl-2-hydroxy-3-phenylbutanoic acid (PubChem CID 79303573) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3-phenylbutanoic acid
PubChem CID79303573
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethyl-2-hydroxy-3-phenylbutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccccc1
InChIInChI=1S/C12H16O3/c1-3-12(15,11(13)14)9(2)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H,13,14)
InChIKeyYDSRBDKNJKDCFB-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 83051898
3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid
CID 79303671
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
2-amino-3-phenylbutan-2-ol
CID 68615274
2,2-bis(1-phenylethyl)propanediamide
CID 118221756
N-ethyl-2,2-dimethyl-3-phenylbutanamide
CID 59419624
2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
CID 83050855
2,2-bis(1-phenylethyl)hexanedioic acid
CID 19695747
2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
CID 167773618
5-ethyl-5-hydroxy-4-phenylheptan-3-one
CID 129196616

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3-phenylbutanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-3-phenylbutanoic acid (CID 79303573) is 2-ethyl-2-hydroxy-3-phenylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-3-phenylbutanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-3-phenylbutanoic acid is CCC(O)(C(=O)O)C(C)c1ccccc1.
What is the InChIKey of 2-ethyl-2-hydroxy-3-phenylbutanoic acid?
The InChIKey is YDSRBDKNJKDCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-12(15,11(13)14)9(2)10-7-5-4-6-8-10/h4-9,15H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-2-hydroxy-3-phenylbutanoic acid?
2-ethyl-2-hydroxy-3-phenylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3-phenylbutanoic acid is sourced from PubChem (CID 79303573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).