3-methyl-4-(4-methylphenyl)oxolane

C12H16O — CID 59185711

IUPAC3-methyl-4-(4-methylphenyl)oxolane
SMILESCc1ccc(C2COCC2C)cc1
InChIInChI=1S/C12H16O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3
InChIKeyIFOVBUWLXFUBII-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.74
Rot. Bonds1

About 3-methyl-4-(4-methylphenyl)oxolane

3-methyl-4-(4-methylphenyl)oxolane (PubChem CID 59185711) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)oxolane.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)oxolane
PubChem CID59185711
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-methyl-4-(4-methylphenyl)oxolane
SMILESCc1ccc(C2COCC2C)cc1
InChIInChI=1S/C12H16O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3
InChIKeyIFOVBUWLXFUBII-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-(4-methylphenyl)oxolane 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 3-methyl-4-(4-methylphenyl)oxolane?
The IUPAC name of 3-methyl-4-(4-methylphenyl)oxolane (CID 59185711) is 3-methyl-4-(4-methylphenyl)oxolane.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)oxolane?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)oxolane is Cc1ccc(C2COCC2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)oxolane?
The InChIKey is IFOVBUWLXFUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-3-5-11(6-4-9)12-8-13-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)oxolane?
3-methyl-4-(4-methylphenyl)oxolane has a molecular weight of 176.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)oxolane is sourced from PubChem (CID 59185711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).