4-ethenyl-2-(3-methylbut-2-enyl)phenol

C13H16O — CID 101116334

IUPAC4-ethenyl-2-(3-methylbut-2-enyl)phenol
SMILESC=Cc1ccc(O)c(CC=C(C)C)c1
InChIInChI=1S/C13H16O/c1-4-11-6-8-13(14)12(9-11)7-5-10(2)3/h4-6,8-9,14H,1,7H2,2-3H3
InChIKeyHRBKLNKDBDJZMC-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.54
Rot. Bonds3

About 4-ethenyl-2-(3-methylbut-2-enyl)phenol

4-ethenyl-2-(3-methylbut-2-enyl)phenol (PubChem CID 101116334) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-ethenyl-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name4-ethenyl-2-(3-methylbut-2-enyl)phenol
PubChem CID101116334
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-ethenyl-2-(3-methylbut-2-enyl)phenol
SMILESC=Cc1ccc(O)c(CC=C(C)C)c1
InChIInChI=1S/C13H16O/c1-4-11-6-8-13(14)12(9-11)7-5-10(2)3/h4-6,8-9,14H,1,7H2,2-3H3
InChIKeyHRBKLNKDBDJZMC-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-2-(3-methylbut-2-enyl)phenol 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 4-ethenyl-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 4-ethenyl-2-(3-methylbut-2-enyl)phenol (CID 101116334) is 4-ethenyl-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 4-ethenyl-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 4-ethenyl-2-(3-methylbut-2-enyl)phenol is C=Cc1ccc(O)c(CC=C(C)C)c1.
What is the InChIKey of 4-ethenyl-2-(3-methylbut-2-enyl)phenol?
The InChIKey is HRBKLNKDBDJZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-11-6-8-13(14)12(9-11)7-5-10(2)3/h4-6,8-9,14H,1,7H2,2-3H3.
What are the key properties of 4-ethenyl-2-(3-methylbut-2-enyl)phenol?
4-ethenyl-2-(3-methylbut-2-enyl)phenol has a molecular weight of 188.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 101116334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).