4-hept-5-enylphenol

C13H18O — CID 66787200

IUPAC4-hept-5-enylphenol
SMILESCC=CCCCCc1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h2-3,8-11,14H,4-7H2,1H3
InChIKeyLWNWLUGSBRNZCB-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.68
Rot. Bonds5

About 4-hept-5-enylphenol

4-hept-5-enylphenol (PubChem CID 66787200) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-hept-5-enylphenol.

Molecular Properties

Compound Name4-hept-5-enylphenol
PubChem CID66787200
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-hept-5-enylphenol
SMILESCC=CCCCCc1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h2-3,8-11,14H,4-7H2,1H3
InChIKeyLWNWLUGSBRNZCB-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.68
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'}

Analyze 4-hept-5-enylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-hept-5-enyl]phenyl]phosphinothious acid
CID 144534534
4-dec-8-enylbenzoic acid
CID 151842838
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-tetradec-13-enylphenol
CID 157380665
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
calcium;hydride;(Z)-octadec-9-enoic acid;4-octadecylphenol
CID 174935211
1-hex-4-enyl-4-phenylbenzene
CID 174423294
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867

Frequently Asked Questions

What is the IUPAC name of 4-hept-5-enylphenol?
The IUPAC name of 4-hept-5-enylphenol (CID 66787200) is 4-hept-5-enylphenol.
What is the SMILES notation for 4-hept-5-enylphenol?
The canonical SMILES for 4-hept-5-enylphenol is CC=CCCCCc1ccc(O)cc1.
What is the InChIKey of 4-hept-5-enylphenol?
The InChIKey is LWNWLUGSBRNZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h2-3,8-11,14H,4-7H2,1H3.
What are the key properties of 4-hept-5-enylphenol?
4-hept-5-enylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-5-enylphenol is sourced from PubChem (CID 66787200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).