3-heptadeca-1,3,5-trienylphenol

C23H34O — CID 175776848

IUPAC3-heptadeca-1,3,5-trienylphenol
SMILESCCCCCCCCCCCC=CC=CC=Cc1cccc(O)c1
InChIInChI=1S/C23H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h12-21,24H,2-11H2,1H3
InChIKeyCVQNFBVDKFOPGJ-UHFFFAOYSA-N
MW326.52 g/mol
LogP7.44
Rot. Bonds13

About 3-heptadeca-1,3,5-trienylphenol

3-heptadeca-1,3,5-trienylphenol (PubChem CID 175776848) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 3-heptadeca-1,3,5-trienylphenol.

Molecular Properties

Compound Name3-heptadeca-1,3,5-trienylphenol
PubChem CID175776848
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name3-heptadeca-1,3,5-trienylphenol
SMILESCCCCCCCCCCCC=CC=CC=Cc1cccc(O)c1
InChIInChI=1S/C23H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h12-21,24H,2-11H2,1H3
InChIKeyCVQNFBVDKFOPGJ-UHFFFAOYSA-N
XLogP7.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1E,4E)-pentadeca-1,4-dienyl]phenol
CID 101292637
2-(oxiran-2-ylmethoxymethyl)oxirane;3-pentadeca-1,3-dienylphenol
CID 175327312
3-[(E)-hex-1-enyl]phenol
CID 121007177
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
octadeca-1,3-dienylbenzene
CID 54155436
2-pentadeca-1,3,5-trienylbenzene-1,3-diol
CID 91476848
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

Frequently Asked Questions

What is the IUPAC name of 3-heptadeca-1,3,5-trienylphenol?
The IUPAC name of 3-heptadeca-1,3,5-trienylphenol (CID 175776848) is 3-heptadeca-1,3,5-trienylphenol.
What is the SMILES notation for 3-heptadeca-1,3,5-trienylphenol?
The canonical SMILES for 3-heptadeca-1,3,5-trienylphenol is CCCCCCCCCCCC=CC=CC=Cc1cccc(O)c1.
What is the InChIKey of 3-heptadeca-1,3,5-trienylphenol?
The InChIKey is CVQNFBVDKFOPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h12-21,24H,2-11H2,1H3.
What are the key properties of 3-heptadeca-1,3,5-trienylphenol?
3-heptadeca-1,3,5-trienylphenol has a molecular weight of 326.52 g/mol, XLogP of 7.44, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptadeca-1,3,5-trienylphenol is sourced from PubChem (CID 175776848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).