3-methyl-2-methylidene-1-phenylbut-3-en-1-ol

C12H14O — CID 12507780

IUPAC3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
SMILESC=C(C)C(=C)C(O)c1ccccc1
InChIInChI=1S/C12H14O/c1-9(2)10(3)12(13)11-7-5-4-6-8-11/h4-8,12-13H,1,3H2,2H3
InChIKeyOYZAOJYVWOPBCW-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.85
Rot. Bonds3

About 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol

3-methyl-2-methylidene-1-phenylbut-3-en-1-ol (PubChem CID 12507780) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
PubChem CID12507780
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
SMILESC=C(C)C(=C)C(O)c1ccccc1
InChIInChI=1S/C12H14O/c1-9(2)10(3)12(13)11-7-5-4-6-8-11/h4-8,12-13H,1,3H2,2H3
InChIKeyOYZAOJYVWOPBCW-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-2-methylidene-1-phenylbut-3-en-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol?
The IUPAC name of 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol (CID 12507780) is 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol.
What is the SMILES notation for 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol?
The canonical SMILES for 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol is C=C(C)C(=C)C(O)c1ccccc1.
What is the InChIKey of 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol?
The InChIKey is OYZAOJYVWOPBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9(2)10(3)12(13)11-7-5-4-6-8-11/h4-8,12-13H,1,3H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol?
3-methyl-2-methylidene-1-phenylbut-3-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 12507780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).