4,4-dimethyl-6,6-diphenyloxan-2-one

C19H20O2 — CID 680247

IUPAC4,4-dimethyl-6,6-diphenyloxan-2-one
SMILESCC1(C)CC(=O)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H20O2/c1-18(2)13-17(20)21-19(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyKHDXITZMBVNALW-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.29
Rot. Bonds2

About 4,4-dimethyl-6,6-diphenyloxan-2-one

4,4-dimethyl-6,6-diphenyloxan-2-one (PubChem CID 680247) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,4-dimethyl-6,6-diphenyloxan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-6,6-diphenyloxan-2-one
PubChem CID680247
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4,4-dimethyl-6,6-diphenyloxan-2-one
SMILESCC1(C)CC(=O)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H20O2/c1-18(2)13-17(20)21-19(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyKHDXITZMBVNALW-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6,6-diphenyloxan-2-one?
The IUPAC name of 4,4-dimethyl-6,6-diphenyloxan-2-one (CID 680247) is 4,4-dimethyl-6,6-diphenyloxan-2-one.
What is the SMILES notation for 4,4-dimethyl-6,6-diphenyloxan-2-one?
The canonical SMILES for 4,4-dimethyl-6,6-diphenyloxan-2-one is CC1(C)CC(=O)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-6,6-diphenyloxan-2-one?
The InChIKey is KHDXITZMBVNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-18(2)13-17(20)21-19(14-18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-6,6-diphenyloxan-2-one?
4,4-dimethyl-6,6-diphenyloxan-2-one has a molecular weight of 280.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6,6-diphenyloxan-2-one is sourced from PubChem (CID 680247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).