1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene

C15H22O — CID 64765260

IUPAC1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
SMILESCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H22O/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h4-7,11,13-14H,8-10H2,1-3H3
InChIKeyQLJAHHMFLQZYPU-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.20
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene

1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene (PubChem CID 64765260) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
PubChem CID64765260
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
SMILESCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H22O/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h4-7,11,13-14H,8-10H2,1-3H3
InChIKeyQLJAHHMFLQZYPU-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene 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 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene (CID 64765260) is 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene is Cc1ccccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene?
The InChIKey is QLJAHHMFLQZYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-8-9-14(10-13(11)3)16-15-7-5-4-6-12(15)2/h4-7,11,13-14H,8-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene?
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene is sourced from PubChem (CID 64765260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).