6-phenylbenzo[d][1,3,2]benzodioxaphosphepine

C18H13O2P — CID 14637277

IUPAC6-phenylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc(-p2oc3ccccc3c3ccccc3o2)cc1
InChIInChI=1S/C18H13O2P/c1-2-8-14(9-3-1)21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H
InChIKeyJSGMYADOGOSVSP-UHFFFAOYSA-N
MW292.27 g/mol
LogP6.28
Rot. Bonds1

About 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine

6-phenylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 14637277) has the molecular formula C18H13O2P and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-phenylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID14637277
Molecular FormulaC18H13O2P
Molecular Weight292.27 g/mol
Exact Mass292.07
IUPAC Name6-phenylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESc1ccc(-p2oc3ccccc3c3ccccc3o2)cc1
InChIInChI=1S/C18H13O2P/c1-2-8-14(9-3-1)21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H
InChIKeyJSGMYADOGOSVSP-UHFFFAOYSA-N
XLogP6.28
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.27
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine (CID 14637277) is 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine is c1ccc(-p2oc3ccccc3c3ccccc3o2)cc1.
What is the InChIKey of 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is JSGMYADOGOSVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13O2P/c1-2-8-14(9-3-1)21-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H.
What are the key properties of 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine?
6-phenylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 292.27 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 14637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).