furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide

C23H21BrOP+ — CID 126959440

IUPACfuran-2-ylmethyl(triphenyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20OP.BrH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;
InChIKeyBELIOTJZMYBGQS-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.35
Rot. Bonds5

About furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide

furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide (PubChem CID 126959440) has the molecular formula C23H21BrOP+ and a molecular weight of 424.30 g/mol. Its IUPAC name is furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide.

Molecular Properties

Compound Namefuran-2-ylmethyl(triphenyl)phosphanium;hydrobromide
PubChem CID126959440
Molecular FormulaC23H21BrOP+
Molecular Weight424.30 g/mol
Exact Mass423.05
IUPAC Namefuran-2-ylmethyl(triphenyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20OP.BrH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;
InChIKeyBELIOTJZMYBGQS-UHFFFAOYSA-N
XLogP5.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.35
H-Bond Donors ≤ 50
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 furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide?
The IUPAC name of furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide (CID 126959440) is furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide.
What is the SMILES notation for furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide?
The canonical SMILES for furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide is Br.c1ccc([P+](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide?
The InChIKey is BELIOTJZMYBGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OP.BrH/c1-4-12-21(13-5-1)25(19-20-11-10-18-24-20,22-14-6-2-7-15-22)23-16-8-3-9-17-23;/h1-18H,19H2;1H/q+1;.
What are the key properties of furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide?
furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide has a molecular weight of 424.30 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(triphenyl)phosphanium;hydrobromide is sourced from PubChem (CID 126959440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).