11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one

C19H12ClO5P — CID 11036483

IUPAC11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
SMILESO=C1c2ccccc2OP(=O)(Oc2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C19H12ClO5P/c20-13-9-11-14(12-10-13)23-26(22)24-17-7-3-1-5-15(17)19(21)16-6-2-4-8-18(16)25-26/h1-12H
InChIKeyFMVAPZKIVQCJIN-UHFFFAOYSA-N
MW386.73 g/mol
LogP5.53
Rot. Bonds2

About 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one

11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one (PubChem CID 11036483) has the molecular formula C19H12ClO5P and a molecular weight of 386.73 g/mol. Its IUPAC name is 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one.

Molecular Properties

Compound Name11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
PubChem CID11036483
Molecular FormulaC19H12ClO5P
Molecular Weight386.73 g/mol
Exact Mass386.01
IUPAC Name11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
SMILESO=C1c2ccccc2OP(=O)(Oc2ccc(Cl)cc2)Oc2ccccc21
InChIInChI=1S/C19H12ClO5P/c20-13-9-11-14(12-10-13)23-26(22)24-17-7-3-1-5-15(17)19(21)16-6-2-4-8-18(16)25-26/h1-12H
InChIKeyFMVAPZKIVQCJIN-UHFFFAOYSA-N
XLogP5.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The IUPAC name of 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one (CID 11036483) is 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one.
What is the SMILES notation for 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The canonical SMILES for 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one is O=C1c2ccccc2OP(=O)(Oc2ccc(Cl)cc2)Oc2ccccc21.
What is the InChIKey of 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The InChIKey is FMVAPZKIVQCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClO5P/c20-13-9-11-14(12-10-13)23-26(22)24-17-7-3-1-5-15(17)19(21)16-6-2-4-8-18(16)25-26/h1-12H.
What are the key properties of 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one has a molecular weight of 386.73 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenoxy)-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one is sourced from PubChem (CID 11036483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).