(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone

C19H17O3P — CID 22639267

IUPAC(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone
SMILESCc1coc(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17O3P/c1-14-13-22-15(2)18(14)19(20)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyNSEMYZSALBLHRH-UHFFFAOYSA-N
MW324.32 g/mol
LogP4.05
Rot. Bonds4

About (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone

(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone (PubChem CID 22639267) has the molecular formula C19H17O3P and a molecular weight of 324.32 g/mol. Its IUPAC name is (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone.

Molecular Properties

Compound Name(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone
PubChem CID22639267
Molecular FormulaC19H17O3P
Molecular Weight324.32 g/mol
Exact Mass324.09
IUPAC Name(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone
SMILESCc1coc(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17O3P/c1-14-13-22-15(2)18(14)19(20)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyNSEMYZSALBLHRH-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone?
The IUPAC name of (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone (CID 22639267) is (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone.
What is the SMILES notation for (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone?
The canonical SMILES for (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone is Cc1coc(C)c1C(=O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone?
The InChIKey is NSEMYZSALBLHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O3P/c1-14-13-22-15(2)18(14)19(20)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone?
(2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone has a molecular weight of 324.32 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylfuran-3-yl)-diphenylphosphorylmethanone is sourced from PubChem (CID 22639267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).