5-methyl-2-(4-methylphenyl)oxane

C13H18O — CID 23520509

IUPAC5-methyl-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(C)CO2)cc1
InChIInChI=1S/C13H18O/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3
InChIKeyYBLNGUUZWRECMZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.48
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)oxane

5-methyl-2-(4-methylphenyl)oxane (PubChem CID 23520509) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)oxane.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)oxane
PubChem CID23520509
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name5-methyl-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCC(C)CO2)cc1
InChIInChI=1S/C13H18O/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3
InChIKeyYBLNGUUZWRECMZ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)oxane?
The IUPAC name of 5-methyl-2-(4-methylphenyl)oxane (CID 23520509) is 5-methyl-2-(4-methylphenyl)oxane.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)oxane?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)oxane is Cc1ccc(C2CCC(C)CO2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)oxane?
The InChIKey is YBLNGUUZWRECMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)oxane?
5-methyl-2-(4-methylphenyl)oxane has a molecular weight of 190.29 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)oxane is sourced from PubChem (CID 23520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).