2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one

C17H11O3P — CID 135086996

IUPAC2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one
SMILESO=C1OP(c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C17H11O3P/c18-17-15-10-12-6-4-5-7-13(12)11-16(15)19-21(20-17)14-8-2-1-3-9-14/h1-11H
InChIKeyGQBIDKHEKARGAS-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.03
Rot. Bonds1

About 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one

2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one (PubChem CID 135086996) has the molecular formula C17H11O3P and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one.

Molecular Properties

Compound Name2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one
PubChem CID135086996
Molecular FormulaC17H11O3P
Molecular Weight294.25 g/mol
Exact Mass294.04
IUPAC Name2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one
SMILESO=C1OP(c2ccccc2)Oc2cc3ccccc3cc21
InChIInChI=1S/C17H11O3P/c18-17-15-10-12-6-4-5-7-13(12)11-16(15)19-21(20-17)14-8-2-1-3-9-14/h1-11H
InChIKeyGQBIDKHEKARGAS-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Hydroxy-2-naphthoic acid
CID 7104
Pamoic Acid
CID 8546
1-Hydroxy-2-naphthoic acid
CID 6844
2-Hydroxy-1-naphthoic acid
CID 16790
3,5-Dihydroxy-2-naphthoic acid
CID 66637
3,7-Dihydroxy-2-naphthoic Acid
CID 736299
2-Hydroxy-6-(2-naphthalen-2-yl-ethyl)-benzoic acid
CID 46735335
3-Hydroxyanthracene-2-carboxylic acid
CID 80524
Disodium pamoate
CID 54676156
Sodium 3-hydroxy-2-naphthoate
CID 23672297
4-[(3-Carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-hydroxy-2-naphthoic acid
CID 324974
Disodium pamoate monohydrate
CID 54678147

Frequently Asked Questions

What is the IUPAC name of 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one?
The IUPAC name of 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one (CID 135086996) is 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one.
What is the SMILES notation for 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one?
The canonical SMILES for 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one is O=C1OP(c2ccccc2)Oc2cc3ccccc3cc21.
What is the InChIKey of 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one?
The InChIKey is GQBIDKHEKARGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11O3P/c18-17-15-10-12-6-4-5-7-13(12)11-16(15)19-21(20-17)14-8-2-1-3-9-14/h1-11H.
What are the key properties of 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one?
2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one has a molecular weight of 294.25 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzo[g][1,3,2]benzodioxaphosphinin-4-one is sourced from PubChem (CID 135086996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).