5-benzhydrylideneoxolan-2-one

C17H14O2 — CID 10705808

IUPAC5-benzhydrylideneoxolan-2-one
SMILESO=C1CCC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H14O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYAEXMLIGYHZWCU-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.78
Rot. Bonds2

About 5-benzhydrylideneoxolan-2-one

5-benzhydrylideneoxolan-2-one (PubChem CID 10705808) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-benzhydrylideneoxolan-2-one.

Molecular Properties

Compound Name5-benzhydrylideneoxolan-2-one
PubChem CID10705808
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name5-benzhydrylideneoxolan-2-one
SMILESO=C1CCC(=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C17H14O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYAEXMLIGYHZWCU-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzhydrylideneoxirane
CID 174764540
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
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4-benzoylmorpholine-2,6-dione
CID 53273549
5-benzhydrylidene-3-benzyl-1,3-oxazolidin-2-one
CID 132522925
(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one
CID 134977643
5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
carbamic acid;oxolane-2,5-dione
CID 174883568
oxolane-2,5-dione;zinc
CID 159620051
5-hydroxy-1,2-dihydrobenzo[f]chromen-3-one
CID 10036160
5-phenyloxocane-2,8-dione
CID 83888033
disodium;diphenylmethanone
CID 19380838
3-benzoyl-1,3-oxazolidine-2,5-dione
CID 149463581

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylideneoxolan-2-one?
The IUPAC name of 5-benzhydrylideneoxolan-2-one (CID 10705808) is 5-benzhydrylideneoxolan-2-one.
What is the SMILES notation for 5-benzhydrylideneoxolan-2-one?
The canonical SMILES for 5-benzhydrylideneoxolan-2-one is O=C1CCC(=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 5-benzhydrylideneoxolan-2-one?
The InChIKey is YAEXMLIGYHZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-16-12-11-15(19-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 5-benzhydrylideneoxolan-2-one?
5-benzhydrylideneoxolan-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylideneoxolan-2-one is sourced from PubChem (CID 10705808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).