6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C15H15O3P — CID 90467370

IUPAC6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCOP1(=O)Oc2cc(C)ccc2-c2ccccc21
InChIInChI=1S/C15H15O3P/c1-3-17-19(16)15-7-5-4-6-13(15)12-9-8-11(2)10-14(12)18-19/h4-10H,3H2,1-2H3
InChIKeyDKERWJMGZHXAGE-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.91
Rot. Bonds2

About 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide

6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 90467370) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID90467370
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Name6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCCOP1(=O)Oc2cc(C)ccc2-c2ccccc21
InChIInChI=1S/C15H15O3P/c1-3-17-19(16)15-7-5-4-6-13(15)12-9-8-11(2)10-14(12)18-19/h4-10H,3H2,1-2H3
InChIKeyDKERWJMGZHXAGE-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537026
2-ethoxy-3-(4-methylphenyl)-2-oxo-1,2λ5-benzoxaphosphinin-4-ol
CID 101373984
3,4-dibutyl-1-ethoxy-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537009
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
1-ethoxy-3,3,5-trimethyl-2,1λ5-benzoxaphosphole 1-oxide
CID 90467222
6-[(2-hydroxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 176957576
1-ethoxy-3-(4-methoxyphenyl)-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556133
6-[(4-methylphenyl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 23594102
1-ethoxy-3,4-dihydro-2,1λ5-benzoxaphosphinine 1-oxide
CID 164683795
6-hydroxy-9-methylbenzo[c][1,2]benzoxaphosphinine 6-oxide
CID 139761151
(2,4-dimethylphenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanone
CID 14366282
3-(4-chlorophenyl)-2-ethoxy-2-oxo-1,2λ5-benzoxaphosphinin-4-ol
CID 101373983

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 90467370) is 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide is CCOP1(=O)Oc2cc(C)ccc2-c2ccccc21.
What is the InChIKey of 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is DKERWJMGZHXAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-3-17-19(16)15-7-5-4-6-13(15)12-9-8-11(2)10-14(12)18-19/h4-10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 274.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 90467370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).