6-dimethylphosphoryl-1-benzofuran

C10H11O2P — CID 137391559

IUPAC6-dimethylphosphoryl-1-benzofuran
SMILESCP(C)(=O)c1ccc2ccoc2c1
InChIInChI=1S/C10H11O2P/c1-13(2,11)9-4-3-8-5-6-12-10(8)7-9/h3-7H,1-2H3
InChIKeyZKVXJULFWYPCKO-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.68
Rot. Bonds1

About 6-dimethylphosphoryl-1-benzofuran

6-dimethylphosphoryl-1-benzofuran (PubChem CID 137391559) has the molecular formula C10H11O2P and a molecular weight of 194.17 g/mol. Its IUPAC name is 6-dimethylphosphoryl-1-benzofuran.

Molecular Properties

Compound Name6-dimethylphosphoryl-1-benzofuran
PubChem CID137391559
Molecular FormulaC10H11O2P
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name6-dimethylphosphoryl-1-benzofuran
SMILESCP(C)(=O)c1ccc2ccoc2c1
InChIInChI=1S/C10H11O2P/c1-13(2,11)9-4-3-8-5-6-12-10(8)7-9/h3-7H,1-2H3
InChIKeyZKVXJULFWYPCKO-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphoryl-1-benzofuran?
The IUPAC name of 6-dimethylphosphoryl-1-benzofuran (CID 137391559) is 6-dimethylphosphoryl-1-benzofuran.
What is the SMILES notation for 6-dimethylphosphoryl-1-benzofuran?
The canonical SMILES for 6-dimethylphosphoryl-1-benzofuran is CP(C)(=O)c1ccc2ccoc2c1.
What is the InChIKey of 6-dimethylphosphoryl-1-benzofuran?
The InChIKey is ZKVXJULFWYPCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2P/c1-13(2,11)9-4-3-8-5-6-12-10(8)7-9/h3-7H,1-2H3.
What are the key properties of 6-dimethylphosphoryl-1-benzofuran?
6-dimethylphosphoryl-1-benzofuran has a molecular weight of 194.17 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphoryl-1-benzofuran is sourced from PubChem (CID 137391559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).