2-methyl-4,4-diphenyloxane

C18H20O — CID 152721447

IUPAC2-methyl-4,4-diphenyloxane
SMILESCC1CC(c2ccccc2)(c2ccccc2)CCO1
InChIInChI=1S/C18H20O/c1-15-14-18(12-13-19-15,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyZVSJAHSEFMEXTK-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.17
Rot. Bonds2

About 2-methyl-4,4-diphenyloxane

2-methyl-4,4-diphenyloxane (PubChem CID 152721447) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-4,4-diphenyloxane.

Molecular Properties

Compound Name2-methyl-4,4-diphenyloxane
PubChem CID152721447
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-methyl-4,4-diphenyloxane
SMILESCC1CC(c2ccccc2)(c2ccccc2)CCO1
InChIInChI=1S/C18H20O/c1-15-14-18(12-13-19-15,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3
InChIKeyZVSJAHSEFMEXTK-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4-diphenyloxane?
The IUPAC name of 2-methyl-4,4-diphenyloxane (CID 152721447) is 2-methyl-4,4-diphenyloxane.
What is the SMILES notation for 2-methyl-4,4-diphenyloxane?
The canonical SMILES for 2-methyl-4,4-diphenyloxane is CC1CC(c2ccccc2)(c2ccccc2)CCO1.
What is the InChIKey of 2-methyl-4,4-diphenyloxane?
The InChIKey is ZVSJAHSEFMEXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-15-14-18(12-13-19-15,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3.
What are the key properties of 2-methyl-4,4-diphenyloxane?
2-methyl-4,4-diphenyloxane has a molecular weight of 252.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4-diphenyloxane is sourced from PubChem (CID 152721447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).