(2-tert-butyl-2,3-dihydroindol-1-yl)methanol

C13H19NO — CID 159596855

IUPAC(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
SMILESCC(C)(C)C1Cc2ccccc2N1CO
InChIInChI=1S/C13H19NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)14(12)9-15/h4-7,12,15H,8-9H2,1-3H3
InChIKeyOVFRUADDKMMWQQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds1

About (2-tert-butyl-2,3-dihydroindol-1-yl)methanol

(2-tert-butyl-2,3-dihydroindol-1-yl)methanol (PubChem CID 159596855) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2-tert-butyl-2,3-dihydroindol-1-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
PubChem CID159596855
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
SMILESCC(C)(C)C1Cc2ccccc2N1CO
InChIInChI=1S/C13H19NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)14(12)9-15/h4-7,12,15H,8-9H2,1-3H3
InChIKeyOVFRUADDKMMWQQ-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
CID 68984738
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
CID 115106208
2-(1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-amine
CID 115114906
3-tert-butyl-1-fluoro-1-(hydroxymethyl)-3,4-dihydroisoquinoline-2-carboxylic acid
CID 172810026
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 66336364
1,2-ditert-butyl-2,3-dihydroindole;1,2-ditert-butyl-3,4-dihydro-2H-quinoline;1,2-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine
CID 157242665
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-2,3-dihydroindol-1-yl)methanol?
The IUPAC name of (2-tert-butyl-2,3-dihydroindol-1-yl)methanol (CID 159596855) is (2-tert-butyl-2,3-dihydroindol-1-yl)methanol.
What is the SMILES notation for (2-tert-butyl-2,3-dihydroindol-1-yl)methanol?
The canonical SMILES for (2-tert-butyl-2,3-dihydroindol-1-yl)methanol is CC(C)(C)C1Cc2ccccc2N1CO.
What is the InChIKey of (2-tert-butyl-2,3-dihydroindol-1-yl)methanol?
The InChIKey is OVFRUADDKMMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12-8-10-6-4-5-7-11(10)14(12)9-15/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of (2-tert-butyl-2,3-dihydroindol-1-yl)methanol?
(2-tert-butyl-2,3-dihydroindol-1-yl)methanol has a molecular weight of 205.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-2,3-dihydroindol-1-yl)methanol is sourced from PubChem (CID 159596855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).