3-[(1E,4E)-pentadeca-1,4-dienyl]phenol

C21H32O — CID 101292637

IUPAC3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
SMILESCCCCCCCCCC/C=C/C/C=C/c1cccc(O)c1
InChIInChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h11-12,14-19,22H,2-10,13H2,1H3/b12-11+,16-14+
InChIKeyMZXJLRNSIUHWSR-SIDAKMONSA-N
MW300.49 g/mol
LogP6.88
Rot. Bonds12

About 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol

3-[(1E,4E)-pentadeca-1,4-dienyl]phenol (PubChem CID 101292637) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol.

Molecular Properties

Compound Name3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
PubChem CID101292637
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
SMILESCCCCCCCCCC/C=C/C/C=C/c1cccc(O)c1
InChIInChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h11-12,14-19,22H,2-10,13H2,1H3/b12-11+,16-14+
InChIKeyMZXJLRNSIUHWSR-SIDAKMONSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(1E,4E)-pentadeca-1,4-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

Related Compounds

3-[(E)-hex-1-enyl]phenol
CID 121007177
3-heptadeca-1,3,5-trienylphenol
CID 175776848
3-(2-hydroxynonadeca-1,3-dienyl)phenol
CID 163189726
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadec-1-enylphenol
CID 175152718
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadeca-1,3-dienylphenol
CID 175327312
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
[(E)-octadec-1-enyl]benzene
CID 22722345

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol?
The IUPAC name of 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol (CID 101292637) is 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol.
What is the SMILES notation for 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol?
The canonical SMILES for 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol is CCCCCCCCCC/C=C/C/C=C/c1cccc(O)c1.
What is the InChIKey of 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol?
The InChIKey is MZXJLRNSIUHWSR-SIDAKMONSA-N. The full InChI is InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h11-12,14-19,22H,2-10,13H2,1H3/b12-11+,16-14+.
What are the key properties of 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol?
3-[(1E,4E)-pentadeca-1,4-dienyl]phenol has a molecular weight of 300.49 g/mol, XLogP of 6.88, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,4E)-pentadeca-1,4-dienyl]phenol is sourced from PubChem (CID 101292637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).