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

C13H19NO — CID 68984738

IUPAC[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
SMILESCC(C)(C)N1c2ccccc2C[C@@H]1CO
InChIInChI=1S/C13H19NO/c1-13(2,3)14-11(9-15)8-10-6-4-5-7-12(10)14/h4-7,11,15H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQUYOKFNDSBERGD-LLVKDONJSA-N
MW205.30 g/mol
LogP2.21
Rot. Bonds1

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

[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol (PubChem CID 68984738) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
PubChem CID68984738
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol
SMILESCC(C)(C)N1c2ccccc2C[C@@H]1CO
InChIInChI=1S/C13H19NO/c1-13(2,3)14-11(9-15)8-10-6-4-5-7-12(10)14/h4-7,11,15H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQUYOKFNDSBERGD-LLVKDONJSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(1-tert-butyl-2,3-dihydroindol-2-yl)-2-(ethylamino)-4-methylpentan-3-one
CID 174355710
tert-butyl N-[2-(hydroxymethyl)-2,3-dihydroindol-1-yl]carbamate
CID 134952104
(2-tert-butyl-2,3-dihydroindol-1-yl)methanol
CID 159596855
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
(2S)-2-(methoxymethyl)-1-methyl-2,3-dihydroindole
CID 58765416
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
[(8S,13bS)-5-methyl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-8-yl]methanol
CID 134844392
(1R)-1-tert-butyl-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 67271341
2,3-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 115000661
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
[(2R)-1-(1-methyl-3-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindol-2-yl]methanol
CID 167858402
2-cyclopropyl-2-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43514057

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol?
The IUPAC name of [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol (CID 68984738) is [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol.
What is the SMILES notation for [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol?
The canonical SMILES for [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol is CC(C)(C)N1c2ccccc2C[C@@H]1CO.
What is the InChIKey of [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol?
The InChIKey is QUYOKFNDSBERGD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)14-11(9-15)8-10-6-4-5-7-12(10)14/h4-7,11,15H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol?
[(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-tert-butyl-2,3-dihydroindol-2-yl]methanol is sourced from PubChem (CID 68984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).