tert-butyl 2-phenylindole-1-carboxylate

C19H19NO2 — CID 11098366

IUPACtert-butyl 2-phenylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-16-12-8-7-11-15(16)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyHWJICEIZCFUKDZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.09
Rot. Bonds1

About tert-butyl 2-phenylindole-1-carboxylate

tert-butyl 2-phenylindole-1-carboxylate (PubChem CID 11098366) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 2-phenylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenylindole-1-carboxylate
PubChem CID11098366
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nametert-butyl 2-phenylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-16-12-8-7-11-15(16)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyHWJICEIZCFUKDZ-UHFFFAOYSA-N
XLogP5.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylindole-1-carboxylate?
The IUPAC name of tert-butyl 2-phenylindole-1-carboxylate (CID 11098366) is tert-butyl 2-phenylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-phenylindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-phenylindole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of tert-butyl 2-phenylindole-1-carboxylate?
The InChIKey is HWJICEIZCFUKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)22-18(21)20-16-12-8-7-11-15(16)13-17(20)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of tert-butyl 2-phenylindole-1-carboxylate?
tert-butyl 2-phenylindole-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylindole-1-carboxylate is sourced from PubChem (CID 11098366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).