1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium

C26H22OP+ — CID 20564704

IUPAC1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)C2OCc3ccccc32)cc1
InChIInChI=1S/C26H22OP/c1-4-13-22(14-5-1)28(23-15-6-2-7-16-23,24-17-8-3-9-18-24)26-25-19-11-10-12-21(25)20-27-26/h1-19,26H,20H2/q+1
InChIKeyRUKCMFCSHNSRQU-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.21
Rot. Bonds4

About 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium

1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium (PubChem CID 20564704) has the molecular formula C26H22OP+ and a molecular weight of 381.44 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium
PubChem CID20564704
Molecular FormulaC26H22OP+
Molecular Weight381.44 g/mol
Exact Mass381.14
IUPAC Name1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)C2OCc3ccccc32)cc1
InChIInChI=1S/C26H22OP/c1-4-13-22(14-5-1)28(23-15-6-2-7-16-23,24-17-8-3-9-18-24)26-25-19-11-10-12-21(25)20-27-26/h1-19,26H,20H2/q+1
InChIKeyRUKCMFCSHNSRQU-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.21
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 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium?
The IUPAC name of 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium (CID 20564704) is 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium?
The canonical SMILES for 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium is c1ccc([P+](c2ccccc2)(c2ccccc2)C2OCc3ccccc32)cc1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium?
The InChIKey is RUKCMFCSHNSRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OP/c1-4-13-22(14-5-1)28(23-15-6-2-7-16-23,24-17-8-3-9-18-24)26-25-19-11-10-12-21(25)20-27-26/h1-19,26H,20H2/q+1.
What are the key properties of 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium?
1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium has a molecular weight of 381.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-1-yl(triphenyl)phosphanium is sourced from PubChem (CID 20564704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).