1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene

C13H19O4P — CID 122219691

IUPAC1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene
SMILESCCOP(=O)(/C=C\c1ccc(OC)cc1)OCC
InChIInChI=1S/C13H19O4P/c1-4-16-18(14,17-5-2)11-10-12-6-8-13(15-3)9-7-12/h6-11H,4-5H2,1-3H3/b11-10-
InChIKeyMKHRGWGXHYXMRQ-KHPPLWFESA-N
MW270.26 g/mol
LogP3.93
Rot. Bonds7

About 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene

1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene (PubChem CID 122219691) has the molecular formula C13H19O4P and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene
PubChem CID122219691
Molecular FormulaC13H19O4P
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene
SMILESCCOP(=O)(/C=C\c1ccc(OC)cc1)OCC
InChIInChI=1S/C13H19O4P/c1-4-16-18(14,17-5-2)11-10-12-6-8-13(15-3)9-7-12/h6-11H,4-5H2,1-3H3/b11-10-
InChIKeyMKHRGWGXHYXMRQ-KHPPLWFESA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-diethoxyphosphorylethenyl]benzoic acid
CID 20713084
5-[(E)-2-diethoxyphosphorylethenyl]-1,2,3-trimethoxybenzene
CID 101023826
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(1E,3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-dienyl]-4-methoxybenzene
CID 10643348
(E)-2-diethoxyphosphoryl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 102323559
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568
(2E)-2-(diethoxyphosphorylmethylidene)-1-(4-methoxyphenyl)hexan-1-one
CID 10937121
zinc 5,15-bis[(E)-2-diethoxyphosphorylethenyl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56654860
CID 135078844
CID 135078844

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene (CID 122219691) is 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene is CCOP(=O)(/C=C\c1ccc(OC)cc1)OCC.
What is the InChIKey of 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene?
The InChIKey is MKHRGWGXHYXMRQ-KHPPLWFESA-N. The full InChI is InChI=1S/C13H19O4P/c1-4-16-18(14,17-5-2)11-10-12-6-8-13(15-3)9-7-12/h6-11H,4-5H2,1-3H3/b11-10-.
What are the key properties of 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene?
1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene has a molecular weight of 270.26 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene is sourced from PubChem (CID 122219691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).