(2-bromophenyl)-ethoxy-oxophosphanium

C8H9BrO2P+ — CID 134964446

IUPAC(2-bromophenyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccccc1Br
InChIInChI=1S/C8H9BrO2P/c1-2-11-12(10)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3/q+1
InChIKeyQJTLKTITYCHDPK-UHFFFAOYSA-N
MW248.04 g/mol
LogP2.85
Rot. Bonds3

About (2-bromophenyl)-ethoxy-oxophosphanium

(2-bromophenyl)-ethoxy-oxophosphanium (PubChem CID 134964446) has the molecular formula C8H9BrO2P+ and a molecular weight of 248.04 g/mol. Its IUPAC name is (2-bromophenyl)-ethoxy-oxophosphanium.

Molecular Properties

Compound Name(2-bromophenyl)-ethoxy-oxophosphanium
PubChem CID134964446
Molecular FormulaC8H9BrO2P+
Molecular Weight248.04 g/mol
Exact Mass246.95
IUPAC Name(2-bromophenyl)-ethoxy-oxophosphanium
SMILESCCO[P+](=O)c1ccccc1Br
InChIInChI=1S/C8H9BrO2P/c1-2-11-12(10)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3/q+1
InChIKeyQJTLKTITYCHDPK-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 52.85
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

Phosphonic acid, phenyl-, diethyl ester
CID 15642
Phosphonic acid, (m-bromophenyl)-
CID 96314
P-(2-Bromophenyl)phosphonic acid
CID 101349
(4-Bromophenyl)phosphonic Acid
CID 95011
Ethyl phenylphosphinate
CID 6328020
Diethyl 3-Bromobenzylphosphonate
CID 10979718
Diethyl P-((4-bromophenyl)methyl)phosphonate
CID 11077666
1-Bromo-2-(dimethylphosphoryl)benzene
CID 59060443
1-Bromo-4-(dimethylphosphoryl)benzene
CID 59131561
1-Bromo-3-(dimethylphosphoryl)benzene
CID 129135203
Diethyl (2-bromophenyl)phosphonate
CID 284858
Ethyl phenylphosphonic acid
CID 11735579

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-ethoxy-oxophosphanium?
The IUPAC name of (2-bromophenyl)-ethoxy-oxophosphanium (CID 134964446) is (2-bromophenyl)-ethoxy-oxophosphanium.
What is the SMILES notation for (2-bromophenyl)-ethoxy-oxophosphanium?
The canonical SMILES for (2-bromophenyl)-ethoxy-oxophosphanium is CCO[P+](=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-ethoxy-oxophosphanium?
The InChIKey is QJTLKTITYCHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2P/c1-2-11-12(10)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3/q+1.
What are the key properties of (2-bromophenyl)-ethoxy-oxophosphanium?
(2-bromophenyl)-ethoxy-oxophosphanium has a molecular weight of 248.04 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-ethoxy-oxophosphanium is sourced from PubChem (CID 134964446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).