6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene

C24H18Cl2O3P2 — CID 158016328

IUPAC6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene
SMILESO=P(Cl)(c1ccccc1)c1ccccc1.O=P1(Cl)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H8ClO2P.C12H10ClOP/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H;1-10H
InChIKeyFFMYMYNFMYCQGG-UHFFFAOYSA-N
MW487.26 g/mol
LogP6.96
Rot. Bonds2

About 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene

6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene (PubChem CID 158016328) has the molecular formula C24H18Cl2O3P2 and a molecular weight of 487.26 g/mol. Its IUPAC name is 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene
PubChem CID158016328
Molecular FormulaC24H18Cl2O3P2
Molecular Weight487.26 g/mol
Exact Mass486.01
IUPAC Name6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene
SMILESO=P(Cl)(c1ccccc1)c1ccccc1.O=P1(Cl)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C12H8ClO2P.C12H10ClOP/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H;1-10H
InChIKeyFFMYMYNFMYCQGG-UHFFFAOYSA-N
XLogP6.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.26
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
2-diphenylphosphoryl-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
CID 102496741
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
6-[5-diphenylphosphoryloxy-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 139547410
CID 157451486
CID 157451486
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432
methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
CID 123154087
6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
(2S)-2-[[(6S)-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl]methyl]butanedioic acid
CID 86312699

Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene?
The IUPAC name of 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene (CID 158016328) is 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene.
What is the SMILES notation for 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene?
The canonical SMILES for 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene is O=P(Cl)(c1ccccc1)c1ccccc1.O=P1(Cl)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene?
The InChIKey is FFMYMYNFMYCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClO2P.C12H10ClOP/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-8H;1-10H.
What are the key properties of 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene?
6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene has a molecular weight of 487.26 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene is sourced from PubChem (CID 158016328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).