furan-3-yl(diphenyl)phosphane

C16H13OP — CID 66745934

IUPACfuran-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccoc2)cc1
InChIInChI=1S/C16H13OP/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15/h1-13H
InChIKeySRECVKBGLCNPBP-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.04
Rot. Bonds3

About furan-3-yl(diphenyl)phosphane

furan-3-yl(diphenyl)phosphane (PubChem CID 66745934) has the molecular formula C16H13OP and a molecular weight of 252.25 g/mol. Its IUPAC name is furan-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Namefuran-3-yl(diphenyl)phosphane
PubChem CID66745934
Molecular FormulaC16H13OP
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Namefuran-3-yl(diphenyl)phosphane
SMILESc1ccc(P(c2ccccc2)c2ccoc2)cc1
InChIInChI=1S/C16H13OP/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15/h1-13H
InChIKeySRECVKBGLCNPBP-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-3-yl(diphenyl)phosphane?
The IUPAC name of furan-3-yl(diphenyl)phosphane (CID 66745934) is furan-3-yl(diphenyl)phosphane.
What is the SMILES notation for furan-3-yl(diphenyl)phosphane?
The canonical SMILES for furan-3-yl(diphenyl)phosphane is c1ccc(P(c2ccccc2)c2ccoc2)cc1.
What is the InChIKey of furan-3-yl(diphenyl)phosphane?
The InChIKey is SRECVKBGLCNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13OP/c1-3-7-14(8-4-1)18(16-11-12-17-13-16)15-9-5-2-6-10-15/h1-13H.
What are the key properties of furan-3-yl(diphenyl)phosphane?
furan-3-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-3-yl(diphenyl)phosphane is sourced from PubChem (CID 66745934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).