2-[(4-methylphenyl)methyl]oxane

C13H18O — CID 10375270

IUPAC2-[(4-methylphenyl)methyl]oxane
SMILESCc1ccc(CC2CCCCO2)cc1
InChIInChI=1S/C13H18O/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyLZVUTHOFYDELJU-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.11
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]oxane

2-[(4-methylphenyl)methyl]oxane (PubChem CID 10375270) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]oxane.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]oxane
PubChem CID10375270
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-[(4-methylphenyl)methyl]oxane
SMILESCc1ccc(CC2CCCCO2)cc1
InChIInChI=1S/C13H18O/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13H,2-4,9-10H2,1H3
InChIKeyLZVUTHOFYDELJU-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(4-methylphenyl)methyl]oxane 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 2-[(4-methylphenyl)methyl]oxane?
The IUPAC name of 2-[(4-methylphenyl)methyl]oxane (CID 10375270) is 2-[(4-methylphenyl)methyl]oxane.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]oxane?
The canonical SMILES for 2-[(4-methylphenyl)methyl]oxane is Cc1ccc(CC2CCCCO2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]oxane?
The InChIKey is LZVUTHOFYDELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]oxane?
2-[(4-methylphenyl)methyl]oxane has a molecular weight of 190.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]oxane is sourced from PubChem (CID 10375270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).