3-(2-hydroxynonadeca-1,3-dienyl)phenol

C25H40O2 — CID 163189726

IUPAC3-(2-hydroxynonadeca-1,3-dienyl)phenol
SMILESCCCCCCCCCCCCCCCC=CC(O)=Cc1cccc(O)c1
InChIInChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h16-22,26-27H,2-15H2,1H3
InChIKeyBROJYTRAMIQZHK-UHFFFAOYSA-N
MW372.59 g/mol
LogP8.33
Rot. Bonds16

About 3-(2-hydroxynonadeca-1,3-dienyl)phenol

3-(2-hydroxynonadeca-1,3-dienyl)phenol (PubChem CID 163189726) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is 3-(2-hydroxynonadeca-1,3-dienyl)phenol.

Molecular Properties

Compound Name3-(2-hydroxynonadeca-1,3-dienyl)phenol
PubChem CID163189726
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name3-(2-hydroxynonadeca-1,3-dienyl)phenol
SMILESCCCCCCCCCCCCCCCC=CC(O)=Cc1cccc(O)c1
InChIInChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h16-22,26-27H,2-15H2,1H3
InChIKeyBROJYTRAMIQZHK-UHFFFAOYSA-N
XLogP8.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
3-heptadeca-1,3,5-trienylphenol
CID 175776848
3-[(E)-hex-1-enyl]phenol
CID 121007177
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
[(E)-octadec-1-enyl]benzene
CID 22722345
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
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxynonadeca-1,3-dienyl)phenol?
The IUPAC name of 3-(2-hydroxynonadeca-1,3-dienyl)phenol (CID 163189726) is 3-(2-hydroxynonadeca-1,3-dienyl)phenol.
What is the SMILES notation for 3-(2-hydroxynonadeca-1,3-dienyl)phenol?
The canonical SMILES for 3-(2-hydroxynonadeca-1,3-dienyl)phenol is CCCCCCCCCCCCCCCC=CC(O)=Cc1cccc(O)c1.
What is the InChIKey of 3-(2-hydroxynonadeca-1,3-dienyl)phenol?
The InChIKey is BROJYTRAMIQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h16-22,26-27H,2-15H2,1H3.
What are the key properties of 3-(2-hydroxynonadeca-1,3-dienyl)phenol?
3-(2-hydroxynonadeca-1,3-dienyl)phenol has a molecular weight of 372.59 g/mol, XLogP of 8.33, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxynonadeca-1,3-dienyl)phenol is sourced from PubChem (CID 163189726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).