11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one

C14H11O4P — CID 14940416

IUPAC11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
SMILESCP1(=O)Oc2ccccc2C(=O)c2ccccc2O1
InChIInChI=1S/C14H11O4P/c1-19(16)17-12-8-4-2-6-10(12)14(15)11-7-3-5-9-13(11)18-19/h2-9H,1H3
InChIKeyPINPGRALUBEQHW-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.51
Rot. Bonds

About 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one

11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one (PubChem CID 14940416) has the molecular formula C14H11O4P and a molecular weight of 274.21 g/mol. Its IUPAC name is 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one.

Molecular Properties

Compound Name11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
PubChem CID14940416
Molecular FormulaC14H11O4P
Molecular Weight274.21 g/mol
Exact Mass274.04
IUPAC Name11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one
SMILESCP1(=O)Oc2ccccc2C(=O)c2ccccc2O1
InChIInChI=1S/C14H11O4P/c1-19(16)17-12-8-4-2-6-10(12)14(15)11-7-3-5-9-13(11)18-19/h2-9H,1H3
InChIKeyPINPGRALUBEQHW-UHFFFAOYSA-N
XLogP3.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The IUPAC name of 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one (CID 14940416) is 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one.
What is the SMILES notation for 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The canonical SMILES for 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one is CP1(=O)Oc2ccccc2C(=O)c2ccccc2O1.
What is the InChIKey of 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
The InChIKey is PINPGRALUBEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O4P/c1-19(16)17-12-8-4-2-6-10(12)14(15)11-7-3-5-9-13(11)18-19/h2-9H,1H3.
What are the key properties of 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one?
11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one has a molecular weight of 274.21 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-oxobenzo[d][1,3,2]benzodioxaphosphocin-5-one is sourced from PubChem (CID 14940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).