methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane

C14H14O4P2 — CID 123154087

IUPACmethoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
SMILESCOP(C)OP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H14O4P2/c1-16-19(2)18-20(15)14-10-6-4-8-12(14)11-7-3-5-9-13(11)17-20/h3-10H,1-2H3
InChIKeyLKGQCHCNGAUQRS-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.17
Rot. Bonds3

About methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane

methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane (PubChem CID 123154087) has the molecular formula C14H14O4P2 and a molecular weight of 308.21 g/mol. Its IUPAC name is methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane.

Molecular Properties

Compound Namemethoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
PubChem CID123154087
Molecular FormulaC14H14O4P2
Molecular Weight308.21 g/mol
Exact Mass308.04
IUPAC Namemethoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane
SMILESCOP(C)OP1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H14O4P2/c1-16-19(2)18-20(15)14-10-6-4-8-12(14)11-7-3-5-9-13(11)17-20/h3-10H,1-2H3
InChIKeyLKGQCHCNGAUQRS-UHFFFAOYSA-N
XLogP4.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-benzo[c][2,1]benzoxaphosphinin-6-yloxybenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 88764425
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
6-[(2-hydroxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 176957576
6-[4-[6-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]-1,2,4,5-tetrazin-3-yl]phenoxy]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 163665563
ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
CID 159397412
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
4-[bis(4-aminophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]aniline;ethane
CID 162139572
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 90467370
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
6-[4-(bromomethyl)-2,5-dimethoxyphenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 59523869
6-[[5-[2-[3,5-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]propan-2-yl]-3-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphenyl]methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122501167

Frequently Asked Questions

What is the IUPAC name of methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane?
The IUPAC name of methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane (CID 123154087) is methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane.
What is the SMILES notation for methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane?
The canonical SMILES for methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane is COP(C)OP1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane?
The InChIKey is LKGQCHCNGAUQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4P2/c1-16-19(2)18-20(15)14-10-6-4-8-12(14)11-7-3-5-9-13(11)17-20/h3-10H,1-2H3.
What are the key properties of methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane?
methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane has a molecular weight of 308.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methyl-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)oxyphosphane is sourced from PubChem (CID 123154087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).