2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol

C13H17NO — CID 117194759

IUPAC2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
SMILESCc1cccc2[nH]cc(CC(C)(C)O)c12
InChIInChI=1S/C13H17NO/c1-9-5-4-6-11-12(9)10(8-14-11)7-13(2,3)15/h4-6,8,14-15H,7H2,1-3H3
InChIKeyRUDOQFXLUNUYSB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.79
Rot. Bonds2

About 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol

2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol (PubChem CID 117194759) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
PubChem CID117194759
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
SMILESCc1cccc2[nH]cc(CC(C)(C)O)c12
InChIInChI=1S/C13H17NO/c1-9-5-4-6-11-12(9)10(8-14-11)7-13(2,3)15/h4-6,8,14-15H,7H2,1-3H3
InChIKeyRUDOQFXLUNUYSB-UHFFFAOYSA-N
XLogP2.79
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
2,2-dimethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119114359
4-methyl-3-(methylsulfonylmethyl)-1H-indole
CID 117184546
3-[(4-bromophenyl)methyl]-4-methyl-1H-indole
CID 118021326
diethyl 2-formamido-2-[(4-methyl-1H-indol-3-yl)methyl]propanedioate
CID 11002496
3,4-dimethyl-1H-indole;ethane
CID 143293593
(2S)-2-azaniumyl-3-(4-methyl-1H-indol-3-yl)propanoate
CID 6951138
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
2-methyl-3-[methyl-[2-(4-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119228729
3-(4-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 46737429
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol (CID 117194759) is 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol is Cc1cccc2[nH]cc(CC(C)(C)O)c12.
What is the InChIKey of 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol?
The InChIKey is RUDOQFXLUNUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-4-6-11-12(9)10(8-14-11)7-13(2,3)15/h4-6,8,14-15H,7H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol?
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 117194759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).