3-heptadeca-1,3-dienylphenol

C23H36O — CID 163194693

IUPAC3-heptadeca-1,3-dienylphenol
SMILESCCCCCCCCCCCCCC=CC=Cc1cccc(O)c1
InChIInChI=1S/C23H36O/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/h14-21,24H,2-13H2,1H3
InChIKeyWOWWYGURCUCHJY-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.66
Rot. Bonds14

About 3-heptadeca-1,3-dienylphenol

3-heptadeca-1,3-dienylphenol (PubChem CID 163194693) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 3-heptadeca-1,3-dienylphenol.

Molecular Properties

Compound Name3-heptadeca-1,3-dienylphenol
PubChem CID163194693
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name3-heptadeca-1,3-dienylphenol
SMILESCCCCCCCCCCCCCC=CC=Cc1cccc(O)c1
InChIInChI=1S/C23H36O/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/h14-21,24H,2-13H2,1H3
InChIKeyWOWWYGURCUCHJY-UHFFFAOYSA-N
XLogP7.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.66
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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Frequently Asked Questions

What is the IUPAC name of 3-heptadeca-1,3-dienylphenol?
The IUPAC name of 3-heptadeca-1,3-dienylphenol (CID 163194693) is 3-heptadeca-1,3-dienylphenol.
What is the SMILES notation for 3-heptadeca-1,3-dienylphenol?
The canonical SMILES for 3-heptadeca-1,3-dienylphenol is CCCCCCCCCCCCCC=CC=Cc1cccc(O)c1.
What is the InChIKey of 3-heptadeca-1,3-dienylphenol?
The InChIKey is WOWWYGURCUCHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/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/h14-21,24H,2-13H2,1H3.
What are the key properties of 3-heptadeca-1,3-dienylphenol?
3-heptadeca-1,3-dienylphenol has a molecular weight of 328.54 g/mol, XLogP of 7.66, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptadeca-1,3-dienylphenol is sourced from PubChem (CID 163194693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).