4,5-diphenyl-4,7-dihydro-1,3-dioxepine

C17H16O2 — CID 123868497

IUPAC4,5-diphenyl-4,7-dihydro-1,3-dioxepine
SMILESC1=C(c2ccccc2)C(c2ccccc2)OCOC1
InChIInChI=1S/C17H16O2/c1-3-7-14(8-4-1)16-11-12-18-13-19-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2
InChIKeyUCUZSVRYJOAVMF-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.82
Rot. Bonds2

About 4,5-diphenyl-4,7-dihydro-1,3-dioxepine

4,5-diphenyl-4,7-dihydro-1,3-dioxepine (PubChem CID 123868497) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4,5-diphenyl-4,7-dihydro-1,3-dioxepine.

Molecular Properties

Compound Name4,5-diphenyl-4,7-dihydro-1,3-dioxepine
PubChem CID123868497
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4,5-diphenyl-4,7-dihydro-1,3-dioxepine
SMILESC1=C(c2ccccc2)C(c2ccccc2)OCOC1
InChIInChI=1S/C17H16O2/c1-3-7-14(8-4-1)16-11-12-18-13-19-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2
InChIKeyUCUZSVRYJOAVMF-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,4S)-3,4-diphenylcyclopent-2-en-1-ol
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CID 11116629
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CID 14921583
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CID 95562202
(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
N,3,4-triphenylcyclopent-2-en-1-imine
CID 102409707
(1S,4S,5S,8S)-2,4,6,8-tetraphenylbicyclo[3.3.1]nona-2,6-diene
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2-phenyloxirane
CID 7276
1-phenyl-3,4-dihydro-1H-isochromen-4-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-4,7-dihydro-1,3-dioxepine?
The IUPAC name of 4,5-diphenyl-4,7-dihydro-1,3-dioxepine (CID 123868497) is 4,5-diphenyl-4,7-dihydro-1,3-dioxepine.
What is the SMILES notation for 4,5-diphenyl-4,7-dihydro-1,3-dioxepine?
The canonical SMILES for 4,5-diphenyl-4,7-dihydro-1,3-dioxepine is C1=C(c2ccccc2)C(c2ccccc2)OCOC1.
What is the InChIKey of 4,5-diphenyl-4,7-dihydro-1,3-dioxepine?
The InChIKey is UCUZSVRYJOAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-7-14(8-4-1)16-11-12-18-13-19-17(16)15-9-5-2-6-10-15/h1-11,17H,12-13H2.
What are the key properties of 4,5-diphenyl-4,7-dihydro-1,3-dioxepine?
4,5-diphenyl-4,7-dihydro-1,3-dioxepine has a molecular weight of 252.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-4,7-dihydro-1,3-dioxepine is sourced from PubChem (CID 123868497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).