(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol

C15H22O2 — CID 11218565

IUPAC(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol
SMILESC/C(=C/CCC(C)(O)c1ccc(C)cc1)CO
InChIInChI=1S/C15H22O2/c1-12-6-8-14(9-7-12)15(3,17)10-4-5-13(2)11-16/h5-9,16-17H,4,10-11H2,1-3H3/b13-5-
InChIKeyGIBUWLSTZDPUEL-ACAGNQJTSA-N
MW234.34 g/mol
LogP2.92
Rot. Bonds5

About (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol

(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol (PubChem CID 11218565) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol.

Molecular Properties

Compound Name(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol
PubChem CID11218565
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol
SMILESC/C(=C/CCC(C)(O)c1ccc(C)cc1)CO
InChIInChI=1S/C15H22O2/c1-12-6-8-14(9-7-12)15(3,17)10-4-5-13(2)11-16/h5-9,16-17H,4,10-11H2,1-3H3/b13-5-
InChIKeyGIBUWLSTZDPUEL-ACAGNQJTSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol?
The IUPAC name of (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol (CID 11218565) is (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol.
What is the SMILES notation for (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol?
The canonical SMILES for (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol is C/C(=C/CCC(C)(O)c1ccc(C)cc1)CO.
What is the InChIKey of (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol?
The InChIKey is GIBUWLSTZDPUEL-ACAGNQJTSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-6-8-14(9-7-12)15(3,17)10-4-5-13(2)11-16/h5-9,16-17H,4,10-11H2,1-3H3/b13-5-.
What are the key properties of (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol?
(Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol has a molecular weight of 234.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-6-(4-methylphenyl)hept-2-ene-1,6-diol is sourced from PubChem (CID 11218565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).