4-methyl-4-phenyloxane

C12H16O — CID 13495586

IUPAC4-methyl-4-phenyloxane
SMILESCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyHTRPHIRYBKTYQQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.75
Rot. Bonds1

About 4-methyl-4-phenyloxane

4-methyl-4-phenyloxane (PubChem CID 13495586) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-4-phenyloxane.

Molecular Properties

Compound Name4-methyl-4-phenyloxane
PubChem CID13495586
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-methyl-4-phenyloxane
SMILESCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyHTRPHIRYBKTYQQ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl phenethyl ether
CID 19089
2-(3-Phenylpropyl)tetrahydrofuran
CID 62490
Isoamyl phenethyl ether
CID 91978
Rhubafuran
CID 113514
Dimethyl phenylbutanol
CID 99870
Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
p-tert-Butylphenethyl alcohol
CID 79410
2,2-Dimethyl-3-phenylpropanol
CID 83367
Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
CID 107098
Majantol
CID 175948
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
(3-Methoxy-2-methylpropyl)benzene
CID 22336876

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyloxane?
The IUPAC name of 4-methyl-4-phenyloxane (CID 13495586) is 4-methyl-4-phenyloxane.
What is the SMILES notation for 4-methyl-4-phenyloxane?
The canonical SMILES for 4-methyl-4-phenyloxane is CC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-methyl-4-phenyloxane?
The InChIKey is HTRPHIRYBKTYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 4-methyl-4-phenyloxane?
4-methyl-4-phenyloxane has a molecular weight of 176.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyloxane is sourced from PubChem (CID 13495586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).