6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide

C15H14ClO2P — CID 90125669

IUPAC6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1ccc2c(c1)-c1cc(C)cc(C)c1OP2(=O)Cl
InChIInChI=1S/C15H14ClO2P/c1-9-4-5-14-12(7-9)13-8-10(2)6-11(3)15(13)18-19(14,16)17/h4-8H,1-3H3
InChIKeyGJMJIDGAWVLQJT-UHFFFAOYSA-N
MW292.70 g/mol
LogP4.73
Rot. Bonds

About 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide

6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 90125669) has the molecular formula C15H14ClO2P and a molecular weight of 292.70 g/mol. Its IUPAC name is 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID90125669
Molecular FormulaC15H14ClO2P
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1ccc2c(c1)-c1cc(C)cc(C)c1OP2(=O)Cl
InChIInChI=1S/C15H14ClO2P/c1-9-4-5-14-12(7-9)13-8-10(2)6-11(3)15(13)18-19(14,16)17/h4-8H,1-3H3
InChIKeyGJMJIDGAWVLQJT-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 90125669) is 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide is Cc1ccc2c(c1)-c1cc(C)cc(C)c1OP2(=O)Cl.
What is the InChIKey of 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is GJMJIDGAWVLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClO2P/c1-9-4-5-14-12(7-9)13-8-10(2)6-11(3)15(13)18-19(14,16)17/h4-8H,1-3H3.
What are the key properties of 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 292.70 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 90125669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).