6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene

C21H21O2P — CID 158354295

IUPAC6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
SMILESCP1(=O)Oc2ccccc2-c2ccccc21.Cc1ccc(C)cc1
InChIInChI=1S/C13H11O2P.C8H10/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16;1-7-3-5-8(2)6-4-7/h2-9H,1H3;3-6H,1-2H3
InChIKeyGSRNYEMEIMGPMG-UHFFFAOYSA-N
MW336.37 g/mol
LogP5.58
Rot. Bonds

About 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene

6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene (PubChem CID 158354295) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene.

Molecular Properties

Compound Name6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
PubChem CID158354295
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
SMILESCP1(=O)Oc2ccccc2-c2ccccc21.Cc1ccc(C)cc1
InChIInChI=1S/C13H11O2P.C8H10/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16;1-7-3-5-8(2)6-4-7/h2-9H,1H3;3-6H,1-2H3
InChIKeyGSRNYEMEIMGPMG-UHFFFAOYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102
2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 142007672
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
CID 159397412
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761151
(2,4-dimethylphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanone
CID 14366282
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
CID 170372495
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
CID 157451486
CID 157451486
ethane;2-[1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenol
CID 159602454
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene?
The IUPAC name of 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene (CID 158354295) is 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene.
What is the SMILES notation for 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene?
The canonical SMILES for 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene is CP1(=O)Oc2ccccc2-c2ccccc21.Cc1ccc(C)cc1.
What is the InChIKey of 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene?
The InChIKey is GSRNYEMEIMGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O2P.C8H10/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16;1-7-3-5-8(2)6-4-7/h2-9H,1H3;3-6H,1-2H3.
What are the key properties of 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene?
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene has a molecular weight of 336.37 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene is sourced from PubChem (CID 158354295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).