2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol

C16H20O — CID 56851670

IUPAC2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol
SMILESC/C(=C\Cc1ccccc1O)CCC=C1CC1
InChIInChI=1S/C16H20O/c1-13(5-4-6-14-10-11-14)9-12-15-7-2-3-8-16(15)17/h2-3,6-9,17H,4-5,10-12H2,1H3/b13-9+
InChIKeyNYWWWDJCACJQNO-UKTHLTGXSA-N
MW228.33 g/mol
LogP4.38
Rot. Bonds5

About 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol

2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol (PubChem CID 56851670) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol
PubChem CID56851670
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol
SMILESC/C(=C\Cc1ccccc1O)CCC=C1CC1
InChIInChI=1S/C16H20O/c1-13(5-4-6-14-10-11-14)9-12-15-7-2-3-8-16(15)17/h2-3,6-9,17H,4-5,10-12H2,1H3/b13-9+
InChIKeyNYWWWDJCACJQNO-UKTHLTGXSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-6-cyclopropylidene-3-methylhex-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 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol?
The IUPAC name of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol (CID 56851670) is 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol?
The canonical SMILES for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol is C/C(=C\Cc1ccccc1O)CCC=C1CC1.
What is the InChIKey of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol?
The InChIKey is NYWWWDJCACJQNO-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H20O/c1-13(5-4-6-14-10-11-14)9-12-15-7-2-3-8-16(15)17/h2-3,6-9,17H,4-5,10-12H2,1H3/b13-9+.
What are the key properties of 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol?
2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol has a molecular weight of 228.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-cyclopropylidene-3-methylhex-2-enyl]phenol is sourced from PubChem (CID 56851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).