3-nonadec-16-enylphenol

C25H42O — CID 85121272

IUPAC3-nonadec-16-enylphenol
SMILESCCC=CCCCCCCCCCCCCCCCc1cccc(O)c1
InChIInChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h3-4,19,21-23,26H,2,5-18,20H2,1H3
InChIKeyJRYABHVBSWEOHA-UHFFFAOYSA-N
MW358.61 g/mol
LogP8.36
Rot. Bonds17

About 3-nonadec-16-enylphenol

3-nonadec-16-enylphenol (PubChem CID 85121272) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 3-nonadec-16-enylphenol.

Molecular Properties

Compound Name3-nonadec-16-enylphenol
PubChem CID85121272
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name3-nonadec-16-enylphenol
SMILESCCC=CCCCCCCCCCCCCCCCc1cccc(O)c1
InChIInChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h3-4,19,21-23,26H,2,5-18,20H2,1H3
InChIKeyJRYABHVBSWEOHA-UHFFFAOYSA-N
XLogP8.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 58.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-nonadec-16-enylphenol?
The IUPAC name of 3-nonadec-16-enylphenol (CID 85121272) is 3-nonadec-16-enylphenol.
What is the SMILES notation for 3-nonadec-16-enylphenol?
The canonical SMILES for 3-nonadec-16-enylphenol is CCC=CCCCCCCCCCCCCCCCc1cccc(O)c1.
What is the InChIKey of 3-nonadec-16-enylphenol?
The InChIKey is JRYABHVBSWEOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h3-4,19,21-23,26H,2,5-18,20H2,1H3.
What are the key properties of 3-nonadec-16-enylphenol?
3-nonadec-16-enylphenol has a molecular weight of 358.61 g/mol, XLogP of 8.36, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonadec-16-enylphenol is sourced from PubChem (CID 85121272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).