[2-bromoethyl(methoxy)phosphoryl]benzene

C9H12BrO2P — CID 101393723

IUPAC[2-bromoethyl(methoxy)phosphoryl]benzene
SMILESCOP(=O)(CCBr)c1ccccc1
InChIInChI=1S/C9H12BrO2P/c1-12-13(11,8-7-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBNZPDNYQCHHLDH-UHFFFAOYSA-N
MW263.07 g/mol
LogP2.63
Rot. Bonds4

About [2-bromoethyl(methoxy)phosphoryl]benzene

[2-bromoethyl(methoxy)phosphoryl]benzene (PubChem CID 101393723) has the molecular formula C9H12BrO2P and a molecular weight of 263.07 g/mol. Its IUPAC name is [2-bromoethyl(methoxy)phosphoryl]benzene.

Molecular Properties

Compound Name[2-bromoethyl(methoxy)phosphoryl]benzene
PubChem CID101393723
Molecular FormulaC9H12BrO2P
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name[2-bromoethyl(methoxy)phosphoryl]benzene
SMILESCOP(=O)(CCBr)c1ccccc1
InChIInChI=1S/C9H12BrO2P/c1-12-13(11,8-7-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBNZPDNYQCHHLDH-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
butyl 3-[methoxy(phenyl)phosphoryl]propanoate
CID 139662468
cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
CID 101016688
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
potassium methoxy(phenyl)phosphinate
CID 141246459
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
1-[butyl(methoxy)phosphoryl]-3-methylbenzene
CID 23081756
[4-[ethyl(methoxy)phosphoryl]phenyl]-phenylmethanamine
CID 89462297
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056

Frequently Asked Questions

What is the IUPAC name of [2-bromoethyl(methoxy)phosphoryl]benzene?
The IUPAC name of [2-bromoethyl(methoxy)phosphoryl]benzene (CID 101393723) is [2-bromoethyl(methoxy)phosphoryl]benzene.
What is the SMILES notation for [2-bromoethyl(methoxy)phosphoryl]benzene?
The canonical SMILES for [2-bromoethyl(methoxy)phosphoryl]benzene is COP(=O)(CCBr)c1ccccc1.
What is the InChIKey of [2-bromoethyl(methoxy)phosphoryl]benzene?
The InChIKey is BNZPDNYQCHHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrO2P/c1-12-13(11,8-7-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of [2-bromoethyl(methoxy)phosphoryl]benzene?
[2-bromoethyl(methoxy)phosphoryl]benzene has a molecular weight of 263.07 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromoethyl(methoxy)phosphoryl]benzene is sourced from PubChem (CID 101393723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).