2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol

C14H19NO — CID 117309958

IUPAC2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol
SMILESCc1[nH]c2cc(C(C)(C)CO)ccc2c1C
InChIInChI=1S/C14H19NO/c1-9-10(2)15-13-7-11(5-6-12(9)13)14(3,4)8-16/h5-7,15-16H,8H2,1-4H3
InChIKeyUKIMZGOJOBGHTQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.05
Rot. Bonds2

About 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol

2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol (PubChem CID 117309958) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol
PubChem CID117309958
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol
SMILESCc1[nH]c2cc(C(C)(C)CO)ccc2c1C
InChIInChI=1S/C14H19NO/c1-9-10(2)15-13-7-11(5-6-12(9)13)14(3,4)8-16/h5-7,15-16H,8H2,1-4H3
InChIKeyUKIMZGOJOBGHTQ-UHFFFAOYSA-N
XLogP3.05
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dimethyl-1H-indol-6-yl)-2,2-dimethylpropanoic acid
CID 117365316
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
2-(2,3-dimethyl-1H-indol-6-yl)acetic acid
CID 82396921
2-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 117281905
2-(2,3-dimethyl-1H-indol-6-yl)-2-(4-hydroxy-3-methylphenyl)-2-phenylacetonitrile
CID 171781180
5-(1-hydroxy-2-methylpropan-2-yl)-2-methylsulfanylphenol
CID 117303256
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
6-(1-hydroxy-2-methylpropan-2-yl)naphthalen-1-ol
CID 105469829
2,7-ditert-butyl-9H-carbazole;hydrobromide
CID 175936620
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
2-(3-chloro-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 105425091
2-(3-chloro-4-hydroxyphenyl)-2-(2,3-dimethyl-1H-indol-6-yl)-2-phenylacetonitrile
CID 171781189

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol (CID 117309958) is 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol is Cc1[nH]c2cc(C(C)(C)CO)ccc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol?
The InChIKey is UKIMZGOJOBGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-10(2)15-13-7-11(5-6-12(9)13)14(3,4)8-16/h5-7,15-16H,8H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol?
2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-6-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).