2-methyl-6-(4-methylphenyl)hept-2-en-4-ol

C15H22O — CID 5315469

IUPAC2-methyl-6-(4-methylphenyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3
InChIKeyNRBFEAZFHRHFFQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol

2-methyl-6-(4-methylphenyl)hept-2-en-4-ol (PubChem CID 5315469) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)hept-2-en-4-ol
PubChem CID5315469
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-methyl-6-(4-methylphenyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3
InChIKeyNRBFEAZFHRHFFQ-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol?
The IUPAC name of 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol (CID 5315469) is 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol is CC(C)=CC(O)CC(C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol?
The InChIKey is NRBFEAZFHRHFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol?
2-methyl-6-(4-methylphenyl)hept-2-en-4-ol has a molecular weight of 218.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)hept-2-en-4-ol is sourced from PubChem (CID 5315469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).