6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide

C14H15O2P — CID 163995892

IUPAC6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC12C=CC=CC1P(C)(=O)Oc1ccccc12
InChIInChI=1S/C14H15O2P/c1-14-10-6-5-9-13(14)17(2,15)16-12-8-4-3-7-11(12)14/h3-10,13H,1-2H3
InChIKeyUEQZPQHMUNEGAI-UHFFFAOYSA-N
MW246.25 g/mol
LogP3.74
Rot. Bonds

About 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide

6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 163995892) has the molecular formula C14H15O2P and a molecular weight of 246.25 g/mol. Its IUPAC name is 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID163995892
Molecular FormulaC14H15O2P
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Name6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCC12C=CC=CC1P(C)(=O)Oc1ccccc12
InChIInChI=1S/C14H15O2P/c1-14-10-6-5-9-13(14)17(2,15)16-12-8-4-3-7-11(12)14/h3-10,13H,1-2H3
InChIKeyUEQZPQHMUNEGAI-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide (CID 163995892) is 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide is CC12C=CC=CC1P(C)(=O)Oc1ccccc12.
What is the InChIKey of 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is UEQZPQHMUNEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2P/c1-14-10-6-5-9-13(14)17(2,15)16-12-8-4-3-7-11(12)14/h3-10,13H,1-2H3.
What are the key properties of 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide?
6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 246.25 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10a-dimethyl-6aH-benzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 163995892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).