furan-2-ylmethyl(triphenyl)phosphanium bromide

C23H20BrOP — CID 11418806

IUPACfuran-2-ylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].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;/p-1
InChIKeyBELIOTJZMYBGQS-UHFFFAOYSA-M
MW423.29 g/mol
LogP1.78
Rot. Bonds5

About furan-2-ylmethyl(triphenyl)phosphanium bromide

furan-2-ylmethyl(triphenyl)phosphanium bromide (PubChem CID 11418806) has the molecular formula C23H20BrOP and a molecular weight of 423.29 g/mol. Its IUPAC name is furan-2-ylmethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namefuran-2-ylmethyl(triphenyl)phosphanium bromide
PubChem CID11418806
Molecular FormulaC23H20BrOP
Molecular Weight423.29 g/mol
Exact Mass422.04
IUPAC Namefuran-2-ylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].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;/p-1
InChIKeyBELIOTJZMYBGQS-UHFFFAOYSA-M
XLogP1.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 51.78
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 bromide?
The IUPAC name of furan-2-ylmethyl(triphenyl)phosphanium bromide (CID 11418806) is furan-2-ylmethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for furan-2-ylmethyl(triphenyl)phosphanium bromide?
The canonical SMILES for furan-2-ylmethyl(triphenyl)phosphanium bromide is [Br-].c1ccc([P+](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of furan-2-ylmethyl(triphenyl)phosphanium bromide?
The InChIKey is BELIOTJZMYBGQS-UHFFFAOYSA-M. 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;/p-1.
What are the key properties of furan-2-ylmethyl(triphenyl)phosphanium bromide?
furan-2-ylmethyl(triphenyl)phosphanium bromide has a molecular weight of 423.29 g/mol, XLogP of 1.78, 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 bromide is sourced from PubChem (CID 11418806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).