furan-2-yl(diphenyl)phosphane

C16H13OP — CID 10563135

IUPACfuran-2-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C16H13OP/c1-3-8-14(9-4-1)18(16-12-7-13-17-16)15-10-5-2-6-11-15/h1-13H
InChIKeyATHCRLRKGYMSRY-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.04
Rot. Bonds3

About furan-2-yl(diphenyl)phosphane

furan-2-yl(diphenyl)phosphane (PubChem CID 10563135) has the molecular formula C16H13OP and a molecular weight of 252.25 g/mol. Its IUPAC name is furan-2-yl(diphenyl)phosphane.

Molecular Properties

Compound Namefuran-2-yl(diphenyl)phosphane
PubChem CID10563135
Molecular FormulaC16H13OP
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Namefuran-2-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C16H13OP/c1-3-8-14(9-4-1)18(16-12-7-13-17-16)15-10-5-2-6-11-15/h1-13H
InChIKeyATHCRLRKGYMSRY-UHFFFAOYSA-N
XLogP3.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.04
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-yl(diphenyl)phosphane?
The IUPAC name of furan-2-yl(diphenyl)phosphane (CID 10563135) is furan-2-yl(diphenyl)phosphane.
What is the SMILES notation for furan-2-yl(diphenyl)phosphane?
The canonical SMILES for furan-2-yl(diphenyl)phosphane is c1ccc(P(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of furan-2-yl(diphenyl)phosphane?
The InChIKey is ATHCRLRKGYMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13OP/c1-3-8-14(9-4-1)18(16-12-7-13-17-16)15-10-5-2-6-11-15/h1-13H.
What are the key properties of furan-2-yl(diphenyl)phosphane?
furan-2-yl(diphenyl)phosphane has a molecular weight of 252.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(diphenyl)phosphane is sourced from PubChem (CID 10563135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).