4-tetradec-13-enylphenol

C20H32O — CID 157380665

IUPAC4-tetradec-13-enylphenol
SMILESC=CCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h2,15-18,21H,1,3-14H2
InChIKeyQDQVALMKHPPFHR-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.41
Rot. Bonds13

About 4-tetradec-13-enylphenol

4-tetradec-13-enylphenol (PubChem CID 157380665) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-tetradec-13-enylphenol.

Molecular Properties

Compound Name4-tetradec-13-enylphenol
PubChem CID157380665
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name4-tetradec-13-enylphenol
SMILESC=CCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h2,15-18,21H,1,3-14H2
InChIKeyQDQVALMKHPPFHR-UHFFFAOYSA-N
XLogP6.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.41
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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Related Compounds

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-fluoro-4-non-8-enylbenzene
CID 57222789
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
hept-6-enylbenzene
CID 15608161
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
4-nonadec-18-enylbenzenediazonium
CID 88673652
benzene-1,4-diol;hept-1-ene
CID 158567201
4-hept-5-enylphenol
CID 66787200
4-(12-hydroxydodecyl)phenol
CID 139809285
3-hexadec-15-enylthiophene
CID 139794200

Frequently Asked Questions

What is the IUPAC name of 4-tetradec-13-enylphenol?
The IUPAC name of 4-tetradec-13-enylphenol (CID 157380665) is 4-tetradec-13-enylphenol.
What is the SMILES notation for 4-tetradec-13-enylphenol?
The canonical SMILES for 4-tetradec-13-enylphenol is C=CCCCCCCCCCCCCc1ccc(O)cc1.
What is the InChIKey of 4-tetradec-13-enylphenol?
The InChIKey is QDQVALMKHPPFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h2,15-18,21H,1,3-14H2.
What are the key properties of 4-tetradec-13-enylphenol?
4-tetradec-13-enylphenol has a molecular weight of 288.48 g/mol, XLogP of 6.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradec-13-enylphenol is sourced from PubChem (CID 157380665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).