6,6-diphenyloxan-2-one

C17H16O2 — CID 14144368

IUPAC6,6-diphenyloxan-2-one
SMILESO=C1CCCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H16O2/c18-16-12-7-13-17(19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyIFDGVQQRCWFQLJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.66
Rot. Bonds2

About 6,6-diphenyloxan-2-one

6,6-diphenyloxan-2-one (PubChem CID 14144368) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6,6-diphenyloxan-2-one.

Molecular Properties

Compound Name6,6-diphenyloxan-2-one
PubChem CID14144368
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name6,6-diphenyloxan-2-one
SMILESO=C1CCCC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C17H16O2/c18-16-12-7-13-17(19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyIFDGVQQRCWFQLJ-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
(6S)-12,12-diphenyl-10,11-dioxadispiro[4.0.46.25]dodecan-9-one
CID 100982708
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(3aS,7aR)-1-oxo-3a-phenyl-2,3,4,5,6,7a-hexahydro-1-benzothiophen-7-one
CID 11708586
2,6,6-triphenyl-4,5-dihydro-1,3-oxazine
CID 601932
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
(1-phenylcyclopentyl)phosphane
CID 156579190

Frequently Asked Questions

What is the IUPAC name of 6,6-diphenyloxan-2-one?
The IUPAC name of 6,6-diphenyloxan-2-one (CID 14144368) is 6,6-diphenyloxan-2-one.
What is the SMILES notation for 6,6-diphenyloxan-2-one?
The canonical SMILES for 6,6-diphenyloxan-2-one is O=C1CCCC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 6,6-diphenyloxan-2-one?
The InChIKey is IFDGVQQRCWFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16-12-7-13-17(19-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 6,6-diphenyloxan-2-one?
6,6-diphenyloxan-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenyloxan-2-one is sourced from PubChem (CID 14144368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).