2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene

C11H12BrO2P — CID 176916453

IUPAC2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene
SMILESC=CP(=O)(C=C)c1cc(OC)ccc1Br
InChIInChI=1S/C11H12BrO2P/c1-4-15(13,5-2)11-8-9(14-3)6-7-10(11)12/h4-8H,1-2H2,3H3
InChIKeyQREOCXNEMSMLSX-UHFFFAOYSA-N
MW287.09 g/mol
LogP3.73
Rot. Bonds4

About 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene

2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene (PubChem CID 176916453) has the molecular formula C11H12BrO2P and a molecular weight of 287.09 g/mol. Its IUPAC name is 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene.

Molecular Properties

Compound Name2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene
PubChem CID176916453
Molecular FormulaC11H12BrO2P
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene
SMILESC=CP(=O)(C=C)c1cc(OC)ccc1Br
InChIInChI=1S/C11H12BrO2P/c1-4-15(13,5-2)11-8-9(14-3)6-7-10(11)12/h4-8H,1-2H2,3H3
InChIKeyQREOCXNEMSMLSX-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
1-[ethenyl-(4-methoxyphenoxy)phosphoryl]oxy-4-methoxybenzene
CID 14641380
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
N-[(2-bromo-5-methoxyphenyl)methyl]ethenesulfonamide
CID 167789638
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817

Frequently Asked Questions

What is the IUPAC name of 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene?
The IUPAC name of 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene (CID 176916453) is 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene.
What is the SMILES notation for 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene?
The canonical SMILES for 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene is C=CP(=O)(C=C)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene?
The InChIKey is QREOCXNEMSMLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrO2P/c1-4-15(13,5-2)11-8-9(14-3)6-7-10(11)12/h4-8H,1-2H2,3H3.
What are the key properties of 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene?
2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene has a molecular weight of 287.09 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(ethenyl)phosphoryl-1-bromo-4-methoxybenzene is sourced from PubChem (CID 176916453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).