4-(4-methylphenyl)oxane

C12H16O — CID 46222621

IUPAC4-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C12H16O/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12H,6-9H2,1H3
InChIKeyNXQLPRWNPQVHTO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.89
Rot. Bonds1

About 4-(4-methylphenyl)oxane

4-(4-methylphenyl)oxane (PubChem CID 46222621) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-(4-methylphenyl)oxane.

Molecular Properties

Compound Name4-(4-methylphenyl)oxane
PubChem CID46222621
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-(4-methylphenyl)oxane
SMILESCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C12H16O/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12H,6-9H2,1H3
InChIKeyNXQLPRWNPQVHTO-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
ethane;4-(4-ethylphenyl)oxane
CID 145044637
CID 59940181
CID 59940181
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane
CID 67249753
ethane;4-(4-methylphenyl)piperidine
CID 145467036
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-methyl-4-(4-methylcyclohexyl)benzene;morpholine-4-carbaldehyde
CID 143736832
4-(3-bromo-5-methylphenyl)oxane
CID 130067648

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)oxane?
The IUPAC name of 4-(4-methylphenyl)oxane (CID 46222621) is 4-(4-methylphenyl)oxane.
What is the SMILES notation for 4-(4-methylphenyl)oxane?
The canonical SMILES for 4-(4-methylphenyl)oxane is Cc1ccc(C2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)oxane?
The InChIKey is NXQLPRWNPQVHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)oxane?
4-(4-methylphenyl)oxane has a molecular weight of 176.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)oxane is sourced from PubChem (CID 46222621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).