[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene

C12H16BrOP — CID 23273187

IUPAC[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene
SMILESCCP(=O)(CC)/C(=C\Br)c1ccccc1
InChIInChI=1S/C12H16BrOP/c1-3-15(14,4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-
InChIKeyDNCSIMBMXFBCEX-BENRWUELSA-N
MW287.14 g/mol
LogP4.78
Rot. Bonds4

About [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene

[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene (PubChem CID 23273187) has the molecular formula C12H16BrOP and a molecular weight of 287.14 g/mol. Its IUPAC name is [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene
PubChem CID23273187
Molecular FormulaC12H16BrOP
Molecular Weight287.14 g/mol
Exact Mass286.01
IUPAC Name[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene
SMILESCCP(=O)(CC)/C(=C\Br)c1ccccc1
InChIInChI=1S/C12H16BrOP/c1-3-15(14,4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-
InChIKeyDNCSIMBMXFBCEX-BENRWUELSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
(2-bromo-1-phenylethenyl)-diethoxyphosphane
CID 3263023
1-bromoprop-1-en-2-ylbenzene
CID 5152757
diphenylmethanone;propanal
CID 159329764
benzoic acid;ethyl formate
CID 158867459
2-dimethylphosphoryl-1-phenylethanone
CID 555432
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
zinc ethyl(phenoxy)phosphinate
CID 118975861
(3-bromo-2-phenylprop-2-enyl)azanium
CID 163875643

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene?
The IUPAC name of [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene (CID 23273187) is [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene.
What is the SMILES notation for [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene?
The canonical SMILES for [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene is CCP(=O)(CC)/C(=C\Br)c1ccccc1.
What is the InChIKey of [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene?
The InChIKey is DNCSIMBMXFBCEX-BENRWUELSA-N. The full InChI is InChI=1S/C12H16BrOP/c1-3-15(14,4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10-.
What are the key properties of [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene?
[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene has a molecular weight of 287.14 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-bromo-1-diethylphosphorylethenyl]benzene is sourced from PubChem (CID 23273187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).