tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate

C15H19NO3 — CID 15174885

IUPACtert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(CCO)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVTFPZEDGWAEVDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.96
Rot. Bonds2

About tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate

tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate (PubChem CID 15174885) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate
PubChem CID15174885
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(CCO)c2ccccc21
InChIInChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVTFPZEDGWAEVDL-UHFFFAOYSA-N
XLogP2.96
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate (CID 15174885) is tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate is CC(C)(C)OC(=O)n1cc(CCO)c2ccccc21.
What is the InChIKey of tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate?
The InChIKey is VTFPZEDGWAEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate?
tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-hydroxyethyl)indole-1-carboxylate is sourced from PubChem (CID 15174885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).