tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate

C17H25NO4 — CID 90299291

IUPACtert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(O)COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-9-8-12-6-7-13(10-14(12)18)21-11-17(4,5)20/h6-7,10,20H,8-9,11H2,1-5H3
InChIKeyRFRKGSJJMZWOSS-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate

tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate (PubChem CID 90299291) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
PubChem CID90299291
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(O)COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-9-8-12-6-7-13(10-14(12)18)21-11-17(4,5)20/h6-7,10,20H,8-9,11H2,1-5H3
InChIKeyRFRKGSJJMZWOSS-UHFFFAOYSA-N
XLogP3.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-(2-piperidin-1-ylethoxy)-2,3-dihydroindole-1-carboxylate
CID 10383009
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
CID 170628662
tert-butyl 6-[2-hydroxy-2-(4-phenylphenyl)ethoxy]-2,3-dihydroindole-1-carboxylate;tert-butyl 6-[2-(4-phenylphenyl)ethoxy]-2,3-dihydroindole-1-carboxylate
CID 160669171
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
tert-butyl 6-(2-trimethylsilylethynyl)-2,3-dihydroindole-1-carboxylate
CID 152530989
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 6-fluoro-5-formyl-2,3-dihydroindole-1-carboxylate
CID 82624854
benzyl 6-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-1-carboxylate
CID 146573027
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate (CID 90299291) is tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate is CC(C)(O)COc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate?
The InChIKey is RFRKGSJJMZWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)22-15(19)18-9-8-12-6-7-13(10-14(12)18)21-11-17(4,5)20/h6-7,10,20H,8-9,11H2,1-5H3.
What are the key properties of tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 90299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).