carboxymethyl(triphenyl)phosphanium bromide

C20H18BrO2P — CID 21186329

IUPACcarboxymethyl(triphenyl)phosphanium bromide
SMILESO=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H17O2P.BrH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H
InChIKeyUMPZROCPMSJJNQ-UHFFFAOYSA-N
MW401.24 g/mol
LogP0.07
Rot. Bonds5

About carboxymethyl(triphenyl)phosphanium bromide

carboxymethyl(triphenyl)phosphanium bromide (PubChem CID 21186329) has the molecular formula C20H18BrO2P and a molecular weight of 401.24 g/mol. Its IUPAC name is carboxymethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namecarboxymethyl(triphenyl)phosphanium bromide
PubChem CID21186329
Molecular FormulaC20H18BrO2P
Molecular Weight401.24 g/mol
Exact Mass400.02
IUPAC Namecarboxymethyl(triphenyl)phosphanium bromide
SMILESO=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H17O2P.BrH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H
InChIKeyUMPZROCPMSJJNQ-UHFFFAOYSA-N
XLogP0.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxymethyl(triphenyl)phosphanium bromide?
The IUPAC name of carboxymethyl(triphenyl)phosphanium bromide (CID 21186329) is carboxymethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for carboxymethyl(triphenyl)phosphanium bromide?
The canonical SMILES for carboxymethyl(triphenyl)phosphanium bromide is O=C(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of carboxymethyl(triphenyl)phosphanium bromide?
The InChIKey is UMPZROCPMSJJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O2P.BrH/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H.
What are the key properties of carboxymethyl(triphenyl)phosphanium bromide?
carboxymethyl(triphenyl)phosphanium bromide has a molecular weight of 401.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 21186329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).