1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

C18H19O3P — CID 118537026

IUPAC1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(C)=C(c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C18H19O3P/c1-4-20-22(19)17-12-13(2)10-11-16(17)18(14(3)21-22)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyCKNVDGPFHWJDRC-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.66
Rot. Bonds3

About 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 118537026) has the molecular formula C18H19O3P and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID118537026
Molecular FormulaC18H19O3P
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(C)=C(c2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C18H19O3P/c1-4-20-22(19)17-12-13(2)10-11-16(17)18(14(3)21-22)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyCKNVDGPFHWJDRC-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.66
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-6-fluoro-3-methyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118536975
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
1-ethoxy-6-methoxy-3-phenyl-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556112
2-ethoxy-3-(4-methylphenyl)-2-oxo-1,2λ5-benzoxaphosphinin-4-ol
CID 101373984
1-ethoxy-3,3,5-trimethyl-2,1λ5-benzoxaphosphole 1-oxide
CID 90467222
1-ethoxy-3-(4-methoxyphenyl)-4-phenylselanyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 170556133
ethyl 4,5-bis(2,4-dimethylphenyl)-3-oxo-2-phenylcyclopenta-1,4-diene-1-carboxylate
CID 102235999
3,4-dibutyl-1-ethoxy-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537009
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
methyl (E)-3-(8-bromo-2-ethoxy-2-oxo-4-phenyl-1,2λ5-benzoxaphosphinin-3-yl)prop-2-enoate
CID 142733820
3-butyl-6-methyl-2-phenylnaphthalene-1,4-dione
CID 10638224

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (CID 118537026) is 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is CCOP1(=O)OC(C)=C(c2ccccc2)c2ccc(C)cc21.
What is the InChIKey of 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is CKNVDGPFHWJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O3P/c1-4-20-22(19)17-12-13(2)10-11-16(17)18(14(3)21-22)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 314.32 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 118537026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).