(2-methoxy-2-oxoethyl)phosphanium bromide

C3H8BrO2P — CID 44717091

IUPAC(2-methoxy-2-oxoethyl)phosphanium bromide
SMILESCOC(=O)C[PH3+].[Br-]
InChIInChI=1S/C3H7O2P.BrH/c1-5-3(4)2-6;/h2,6H2,1H3;1H
InChIKeyQFAKXPOUBVSNOR-UHFFFAOYSA-N
MW186.97 g/mol
LogP-3.23
Rot. Bonds1

About (2-methoxy-2-oxoethyl)phosphanium bromide

(2-methoxy-2-oxoethyl)phosphanium bromide (PubChem CID 44717091) has the molecular formula C3H8BrO2P and a molecular weight of 186.97 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)phosphanium bromide.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)phosphanium bromide
PubChem CID44717091
Molecular FormulaC3H8BrO2P
Molecular Weight186.97 g/mol
Exact Mass185.94
IUPAC Name(2-methoxy-2-oxoethyl)phosphanium bromide
SMILESCOC(=O)C[PH3+].[Br-]
InChIInChI=1S/C3H7O2P.BrH/c1-5-3(4)2-6;/h2,6H2,1H3;1H
InChIKeyQFAKXPOUBVSNOR-UHFFFAOYSA-N
XLogP-3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.97
LogP ≤ 5-3.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methoxy-2-oxoethyl)phosphanium bromide 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

CID 87726616
CID 87726616
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl butanoate;tetrahydrochloride
CID 173289582
chromium;methyl butanoate
CID 174781983
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methane;methyl 3-hydroxypropanoate
CID 165023436
CID 59259624
CID 59259624

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)phosphanium bromide?
The IUPAC name of (2-methoxy-2-oxoethyl)phosphanium bromide (CID 44717091) is (2-methoxy-2-oxoethyl)phosphanium bromide.
What is the SMILES notation for (2-methoxy-2-oxoethyl)phosphanium bromide?
The canonical SMILES for (2-methoxy-2-oxoethyl)phosphanium bromide is COC(=O)C[PH3+].[Br-].
What is the InChIKey of (2-methoxy-2-oxoethyl)phosphanium bromide?
The InChIKey is QFAKXPOUBVSNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P.BrH/c1-5-3(4)2-6;/h2,6H2,1H3;1H.
What are the key properties of (2-methoxy-2-oxoethyl)phosphanium bromide?
(2-methoxy-2-oxoethyl)phosphanium bromide has a molecular weight of 186.97 g/mol, XLogP of -3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)phosphanium bromide is sourced from PubChem (CID 44717091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).