(2-bromo-1-phenylethenyl)-diethoxyphosphane

C12H16BrO2P — CID 3263023

IUPAC(2-bromo-1-phenylethenyl)-diethoxyphosphane
SMILESCCOP(OCC)C(=CBr)c1ccccc1
InChIInChI=1S/C12H16BrO2P/c1-3-14-16(15-4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFPINHVDRCNQFFC-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.76
Rot. Bonds6

About (2-bromo-1-phenylethenyl)-diethoxyphosphane

(2-bromo-1-phenylethenyl)-diethoxyphosphane (PubChem CID 3263023) has the molecular formula C12H16BrO2P and a molecular weight of 303.14 g/mol. Its IUPAC name is (2-bromo-1-phenylethenyl)-diethoxyphosphane.

Molecular Properties

Compound Name(2-bromo-1-phenylethenyl)-diethoxyphosphane
PubChem CID3263023
Molecular FormulaC12H16BrO2P
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name(2-bromo-1-phenylethenyl)-diethoxyphosphane
SMILESCCOP(OCC)C(=CBr)c1ccccc1
InChIInChI=1S/C12H16BrO2P/c1-3-14-16(15-4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFPINHVDRCNQFFC-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl [(E)-1-phenylprop-1-enyl] phosphite
CID 23273338
(3-bromo-2-phenylprop-2-enyl)azanium
CID 163875643
[(Z)-2-bromo-1-diethylphosphorylethenyl]benzene
CID 23273187
1-bromoprop-1-en-2-ylbenzene
CID 5152757
bromobenzene;ethanol
CID 134249194
benzoic acid;ethyl formate
CID 158867459
ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
diethyl hydrogen phosphite;toluene
CID 162138652
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
ethyl 3-phenyl-2,3-bis(sulfanyl)prop-2-enoate
CID 72543001
diethyl (2-hydroxyphenyl) phosphite
CID 23414626
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-phenylethenyl)-diethoxyphosphane?
The IUPAC name of (2-bromo-1-phenylethenyl)-diethoxyphosphane (CID 3263023) is (2-bromo-1-phenylethenyl)-diethoxyphosphane.
What is the SMILES notation for (2-bromo-1-phenylethenyl)-diethoxyphosphane?
The canonical SMILES for (2-bromo-1-phenylethenyl)-diethoxyphosphane is CCOP(OCC)C(=CBr)c1ccccc1.
What is the InChIKey of (2-bromo-1-phenylethenyl)-diethoxyphosphane?
The InChIKey is FPINHVDRCNQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrO2P/c1-3-14-16(15-4-2)12(10-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of (2-bromo-1-phenylethenyl)-diethoxyphosphane?
(2-bromo-1-phenylethenyl)-diethoxyphosphane has a molecular weight of 303.14 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-phenylethenyl)-diethoxyphosphane is sourced from PubChem (CID 3263023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).