6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine

C14H14NOP — CID 170372495

IUPAC6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
SMILESCN=P1(C)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H14NOP/c1-15-17(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)16-17/h3-10H,1-2H3
InChIKeyJTWWKXQRFXBCJH-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.75
Rot. Bonds

About 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine

6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine (PubChem CID 170372495) has the molecular formula C14H14NOP and a molecular weight of 243.25 g/mol. Its IUPAC name is 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine.

Molecular Properties

Compound Name6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
PubChem CID170372495
Molecular FormulaC14H14NOP
Molecular Weight243.25 g/mol
Exact Mass243.08
IUPAC Name6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
SMILESCN=P1(C)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C14H14NOP/c1-15-17(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)16-17/h3-10H,1-2H3
InChIKeyJTWWKXQRFXBCJH-UHFFFAOYSA-N
XLogP3.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.75
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

ethane;6-methyl-6-methylidenebenzo[c][2,1]benzoxaphosphinine
CID 159397412
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
sulfanylidene-bis(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)-λ4-sulfane
CID 88764491
6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714
6-hydroxy-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine
CID 6914045
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
6-butan-2-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 71018079
CID 157451486
CID 157451486
2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propan-1-ol
CID 20662902
6-(3,3-dimethylbutyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 58986432

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine?
The IUPAC name of 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine (CID 170372495) is 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine.
What is the SMILES notation for 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine?
The canonical SMILES for 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine is CN=P1(C)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine?
The InChIKey is JTWWKXQRFXBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOP/c1-15-17(2)14-10-6-4-8-12(14)11-7-3-5-9-13(11)16-17/h3-10H,1-2H3.
What are the key properties of 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine?
6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine has a molecular weight of 243.25 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine is sourced from PubChem (CID 170372495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).