5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene

C15H23O6P — CID 101023826

IUPAC5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene
SMILESCCOP(=O)(/C=C/c1cc(OC)c(OC)c(OC)c1)OCC
InChIInChI=1S/C15H23O6P/c1-6-20-22(16,21-7-2)9-8-12-10-13(17-3)15(19-5)14(11-12)18-4/h8-11H,6-7H2,1-5H3/b9-8+
InChIKeyGZNPAGQCKGLYKP-CMDGGOBGSA-N
MW330.32 g/mol
LogP3.95
Rot. Bonds9

About 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene (PubChem CID 101023826) has the molecular formula C15H23O6P and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene
PubChem CID101023826
Molecular FormulaC15H23O6P
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC Name5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene
SMILESCCOP(=O)(/C=C/c1cc(OC)c(OC)c(OC)c1)OCC
InChIInChI=1S/C15H23O6P/c1-6-20-22(16,21-7-2)9-8-12-10-13(17-3)15(19-5)14(11-12)18-4/h8-11H,6-7H2,1-5H3/b9-8+
InChIKeyGZNPAGQCKGLYKP-CMDGGOBGSA-N
XLogP3.95
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-diethoxyphosphoryl-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 85046153
1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene
CID 122219691
4-[(E)-2-diethoxyphosphorylethenyl]-2-[2-hydroxy-3-methoxy-5-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]-6-methoxyphenol
CID 135939745
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
4-[2-[ethoxy(fluoro)phosphoryl]ethenyl]-2-methoxyphenol
CID 73023288
4-[(E)-2-[ethoxy(fluoro)phosphoryl]ethenyl]-2-methoxyphenol
CID 11594103
1-ethoxy-2,3-dimethoxy-5-(2-nitroethenyl)benzene
CID 86250366
1,2,3-trimethoxy-5-[(E)-3-methylpent-1-enyl]benzene
CID 142222347
1,2,3-trimethoxy-5-[2-[[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]benzene
CID 173037244
O-ethyl 3-(3,4,5-trimethoxyphenyl)prop-2-enethioate
CID 3088350

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene (CID 101023826) is 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene is CCOP(=O)(/C=C/c1cc(OC)c(OC)c(OC)c1)OCC.
What is the InChIKey of 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is GZNPAGQCKGLYKP-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H23O6P/c1-6-20-22(16,21-7-2)9-8-12-10-13(17-3)15(19-5)14(11-12)18-4/h8-11H,6-7H2,1-5H3/b9-8+.
What are the key properties of 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 330.32 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 101023826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).