5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol

C19H28O2 — CID 643751

IUPAC5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol
SMILESCCCCC/C=C\C/C=C\CCCc1cc(O)cc(O)c1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-
InChIKeyDWGFCVWXMWMPHS-HZJYTTRNSA-N
MW288.43 g/mol
LogP5.50
Rot. Bonds10

About 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol

5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol (PubChem CID 643751) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol
PubChem CID643751
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol
SMILESCCCCC/C=C\C/C=C\CCCc1cc(O)cc(O)c1
InChIInChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-
InChIKeyDWGFCVWXMWMPHS-HZJYTTRNSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol 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

Resveratrol
CID 445154
Cannabidiol
CID 644019
M-Cresol
CID 342
Cannabidivarin
CID 11601669
Hexylresorcinol
CID 3610
3-Ethylphenol
CID 12101
Tapinarof
CID 6439522
Pinosylvin
CID 5280457
2-Methylresorcinol
CID 11843
Orcinol
CID 10436
3-Isopropylphenol
CID 12059
Cis-Resveratrol
CID 1548910

Frequently Asked Questions

What is the IUPAC name of 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol?
The IUPAC name of 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol (CID 643751) is 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol?
The canonical SMILES for 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol is CCCCC/C=C\C/C=C\CCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol?
The InChIKey is DWGFCVWXMWMPHS-HZJYTTRNSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-.
What are the key properties of 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol?
5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol has a molecular weight of 288.43 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4Z,7Z)-trideca-4,7-dienyl]benzene-1,3-diol is sourced from PubChem (CID 643751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).