2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

C16H16O2P+ — CID 90348830

IUPAC2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCc1cc(C)c2o[p+](=O)c3cc(C)cc(C)c3c2c1
InChIInChI=1S/C16H16O2P/c1-9-6-12(4)16-13(7-9)15-11(3)5-10(2)8-14(15)19(17)18-16/h5-8H,1-4H3/q+1
InChIKeyNIRCQZXCDAQHKQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP5.56
Rot. Bonds

About 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 90348830) has the molecular formula C16H16O2P+ and a molecular weight of 271.28 g/mol. Its IUPAC name is 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Name2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
PubChem CID90348830
Molecular FormulaC16H16O2P+
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCc1cc(C)c2o[p+](=O)c3cc(C)cc(C)c3c2c1
InChIInChI=1S/C16H16O2P/c1-9-6-12(4)16-13(7-9)15-11(3)5-10(2)8-14(15)19(17)18-16/h5-8H,1-4H3/q+1
InChIKeyNIRCQZXCDAQHKQ-UHFFFAOYSA-N
XLogP5.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.28
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (CID 90348830) is 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is Cc1cc(C)c2o[p+](=O)c3cc(C)cc(C)c3c2c1.
What is the InChIKey of 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is NIRCQZXCDAQHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2P/c1-9-6-12(4)16-13(7-9)15-11(3)5-10(2)8-14(15)19(17)18-16/h5-8H,1-4H3/q+1.
What are the key properties of 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 271.28 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 90348830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).