tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane

C13H19OP — CID 126626420

IUPACtert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane
SMILESCc1ccc2c(c1PC(C)(C)C)OCC2
InChIInChI=1S/C13H19OP/c1-9-5-6-10-7-8-14-11(10)12(9)15-13(2,3)4/h5-6,15H,7-8H2,1-4H3
InChIKeyKTGTWYIDQLVNOL-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.03
Rot. Bonds1

About tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane

tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane (PubChem CID 126626420) has the molecular formula C13H19OP and a molecular weight of 222.27 g/mol. Its IUPAC name is tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane.

Molecular Properties

Compound Nametert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane
PubChem CID126626420
Molecular FormulaC13H19OP
Molecular Weight222.27 g/mol
Exact Mass222.12
IUPAC Nametert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane
SMILESCc1ccc2c(c1PC(C)(C)C)OCC2
InChIInChI=1S/C13H19OP/c1-9-5-6-10-7-8-14-11(10)12(9)15-13(2,3)4/h5-6,15H,7-8H2,1-4H3
InChIKeyKTGTWYIDQLVNOL-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.03
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 tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane?
The IUPAC name of tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane (CID 126626420) is tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane.
What is the SMILES notation for tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane?
The canonical SMILES for tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane is Cc1ccc2c(c1PC(C)(C)C)OCC2.
What is the InChIKey of tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane?
The InChIKey is KTGTWYIDQLVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19OP/c1-9-5-6-10-7-8-14-11(10)12(9)15-13(2,3)4/h5-6,15H,7-8H2,1-4H3.
What are the key properties of tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane?
tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane has a molecular weight of 222.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)phosphane is sourced from PubChem (CID 126626420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).