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

C15H15O2P — CID 142007672

IUPAC2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1cc(C)c2c(c1)-c1ccccc1P(C)(=O)O2
InChIInChI=1S/C15H15O2P/c1-10-8-11(2)15-13(9-10)12-6-4-5-7-14(12)18(3,16)17-15/h4-9H,1-3H3
InChIKeyNTFHPWCLHWHRFT-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.90
Rot. Bonds

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

2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide (PubChem CID 142007672) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
PubChem CID142007672
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
SMILESCc1cc(C)c2c(c1)-c1ccccc1P(C)(=O)O2
InChIInChI=1S/C15H15O2P/c1-10-8-11(2)15-13(9-10)12-6-4-5-7-14(12)18(3,16)17-15/h4-9H,1-3H3
InChIKeyNTFHPWCLHWHRFT-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.90
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-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-chloro-2,4,9-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 90125669
9-(2,4-dimethylxanthen-9-ylidene)-2,4-dimethylxanthene
CID 71384029
(2-chloro-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-(2,4,6-trimethylphenyl)methanone
CID 14366299
(2,4-dimethylphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanone
CID 14366282
5-[4,4,4',4',6,6'-hexamethyl-8'-(5-oxobenzo[b]phosphindol-5-yl)-2,2'-spirobi[3H-chromene]-8-yl]benzo[b]phosphindole 5-oxide
CID 66556665
6-methyl-1,2-dihydrobenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 142425353
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761151
2-[anilino-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]-4,6-dimethylphenol
CID 102498328
(3S)-3-methyl-4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]-2H-1,3λ5-benzoxaphosphole 3-oxide
CID 134580548
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 90467370
6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The IUPAC name of 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide (CID 142007672) is 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The canonical SMILES for 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide is Cc1cc(C)c2c(c1)-c1ccccc1P(C)(=O)O2.
What is the InChIKey of 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
The InChIKey is NTFHPWCLHWHRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-10-8-11(2)15-13(9-10)12-6-4-5-7-14(12)18(3,16)17-15/h4-9H,1-3H3.
What are the key properties of 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide?
2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide has a molecular weight of 258.26 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbenzo[c][1,2]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 142007672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).