2-methylidene-4-phenylbutan-1-ol

C11H14O — CID 12865716

IUPAC2-methylidene-4-phenylbutan-1-ol
SMILESC=C(CO)CCc1ccccc1
InChIInChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyBVVVWASUMBLDAL-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.17
Rot. Bonds4

About 2-methylidene-4-phenylbutan-1-ol

2-methylidene-4-phenylbutan-1-ol (PubChem CID 12865716) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methylidene-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-methylidene-4-phenylbutan-1-ol
PubChem CID12865716
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-methylidene-4-phenylbutan-1-ol
SMILESC=C(CO)CCc1ccccc1
InChIInChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyBVVVWASUMBLDAL-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidene-4-phenylbutan-1-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

Benzyl Alcohol
CID 244
2-Phenylethanol
CID 6054
Cinnamyl Alcohol
CID 5315892
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzenepropanol
CID 31234
1-Phenyl-3-methyl-3-pentanol
CID 61516
Benzhydrol
CID 7037
2-Methyl-4-phenyl-2-butanol
CID 7632

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-phenylbutan-1-ol?
The IUPAC name of 2-methylidene-4-phenylbutan-1-ol (CID 12865716) is 2-methylidene-4-phenylbutan-1-ol.
What is the SMILES notation for 2-methylidene-4-phenylbutan-1-ol?
The canonical SMILES for 2-methylidene-4-phenylbutan-1-ol is C=C(CO)CCc1ccccc1.
What is the InChIKey of 2-methylidene-4-phenylbutan-1-ol?
The InChIKey is BVVVWASUMBLDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2.
What are the key properties of 2-methylidene-4-phenylbutan-1-ol?
2-methylidene-4-phenylbutan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-phenylbutan-1-ol is sourced from PubChem (CID 12865716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).