2-methyl-4-phenylbutan-2-ol

C11H16O — CID 7632

IUPAC2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CCc1ccccc1
InChIInChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyYXVSKJDFNJFXAJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-4-phenylbutan-2-ol

2-methyl-4-phenylbutan-2-ol (PubChem CID 7632) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-phenylbutan-2-ol
PubChem CID7632
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methyl-4-phenylbutan-2-ol
SMILESCC(C)(O)CCc1ccccc1
InChIInChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyYXVSKJDFNJFXAJ-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-4-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
2-Phenyl-1-propanol
CID 14295
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523
2-Pentylcinnamic alcohol
CID 5368491
2-Methyl-4-phenyl-2-butyl acetate
CID 7633
1-Phenyl-2-pentanol
CID 61202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylbutan-2-ol?
The IUPAC name of 2-methyl-4-phenylbutan-2-ol (CID 7632) is 2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for 2-methyl-4-phenylbutan-2-ol is CC(C)(O)CCc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylbutan-2-ol?
The InChIKey is YXVSKJDFNJFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-phenylbutan-2-ol?
2-methyl-4-phenylbutan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 7632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).