1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

C17H16FO3P — CID 118536975

IUPAC1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(C)=C(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C17H16FO3P/c1-3-20-22(19)16-10-9-14(18)11-15(16)17(12(2)21-22)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyIZPSDYVJGSBFBM-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.49
Rot. Bonds3

About 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 118536975) has the molecular formula C17H16FO3P and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID118536975
Molecular FormulaC17H16FO3P
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(C)=C(c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C17H16FO3P/c1-3-20-22(19)16-10-9-14(18)11-15(16)17(12(2)21-22)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyIZPSDYVJGSBFBM-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.49
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
6-ethoxy-3-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 90467370
1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 72701570
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
1-ethoxy-3,3,5-trimethyl-2,1λ5-benzoxaphosphole 1-oxide
CID 90467222
methyl (E)-3-(8-bromo-2-ethoxy-2-oxo-4-phenyl-1,2λ5-benzoxaphosphinin-3-yl)prop-2-enoate
CID 142733820
2-(4-fluorophenyl)-5-methyl-3-phenyl-1H-pyrrole
CID 11817591
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
1-ethoxy-7-methyl-1-oxo-5-phenyl-2H-2,1λ5-benzazaphosphol-3-one
CID 142733310
1-(bromomethyl)-2,4-difluoro-5-phenylbenzene;1,5-difluoro-2-methyl-4-phenylbenzene
CID 158814146
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (CID 118536975) is 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is CCOP1(=O)OC(C)=C(c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is IZPSDYVJGSBFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FO3P/c1-3-20-22(19)16-10-9-14(18)11-15(16)17(12(2)21-22)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 318.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 118536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).