2-(3-prop-2-enylhexa-2,5-dienyl)phenol

C15H18O — CID 70595420

IUPAC2-(3-prop-2-enylhexa-2,5-dienyl)phenol
SMILESC=CCC(=CCc1ccccc1O)CC=C
InChIInChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2
InChIKeyRRKVSZRYVCIVFI-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.01
Rot. Bonds6

About 2-(3-prop-2-enylhexa-2,5-dienyl)phenol

2-(3-prop-2-enylhexa-2,5-dienyl)phenol (PubChem CID 70595420) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-prop-2-enylhexa-2,5-dienyl)phenol.

Molecular Properties

Compound Name2-(3-prop-2-enylhexa-2,5-dienyl)phenol
PubChem CID70595420
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(3-prop-2-enylhexa-2,5-dienyl)phenol
SMILESC=CCC(=CCc1ccccc1O)CC=C
InChIInChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2
InChIKeyRRKVSZRYVCIVFI-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-prop-2-enylhexa-2,5-dienyl)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-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The IUPAC name of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol (CID 70595420) is 2-(3-prop-2-enylhexa-2,5-dienyl)phenol.
What is the SMILES notation for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The canonical SMILES for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol is C=CCC(=CCc1ccccc1O)CC=C.
What is the InChIKey of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The InChIKey is RRKVSZRYVCIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2.
What are the key properties of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
2-(3-prop-2-enylhexa-2,5-dienyl)phenol has a molecular weight of 214.31 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol is sourced from PubChem (CID 70595420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).