5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol

C15H20O — CID 65177369

IUPAC5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol
SMILESCc1cccc(C2=CC(O)CC(C)(C)C2)c1
InChIInChI=1S/C15H20O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h4-8,14,16H,9-10H2,1-3H3
InChIKeyKZUOAPATBJTHLO-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.56
Rot. Bonds1

About 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol

5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol (PubChem CID 65177369) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol
PubChem CID65177369
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol
SMILESCc1cccc(C2=CC(O)CC(C)(C)C2)c1
InChIInChI=1S/C15H20O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h4-8,14,16H,9-10H2,1-3H3
InChIKeyKZUOAPATBJTHLO-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol?
The IUPAC name of 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol (CID 65177369) is 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol is Cc1cccc(C2=CC(O)CC(C)(C)C2)c1.
What is the InChIKey of 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol?
The InChIKey is KZUOAPATBJTHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-5-4-6-12(7-11)13-8-14(16)10-15(2,3)9-13/h4-8,14,16H,9-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol?
5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3-methylphenyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 65177369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).