[1-(2-methylpropyl)indol-6-yl]methanol

C13H17NO — CID 102913005

IUPAC[1-(2-methylpropyl)indol-6-yl]methanol
SMILESCC(C)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C13H17NO/c1-10(2)8-14-6-5-12-4-3-11(9-15)7-13(12)14/h3-7,10,15H,8-9H2,1-2H3
InChIKeyNZDBABZZHHSYNZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.79
Rot. Bonds3

About [1-(2-methylpropyl)indol-6-yl]methanol

[1-(2-methylpropyl)indol-6-yl]methanol (PubChem CID 102913005) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [1-(2-methylpropyl)indol-6-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)indol-6-yl]methanol
PubChem CID102913005
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[1-(2-methylpropyl)indol-6-yl]methanol
SMILESCC(C)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C13H17NO/c1-10(2)8-14-6-5-12-4-3-11(9-15)7-13(12)14/h3-7,10,15H,8-9H2,1-2H3
InChIKeyNZDBABZZHHSYNZ-UHFFFAOYSA-N
XLogP2.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
CID 102912449
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
1-[1-(2-methylpropyl)indol-6-yl]ethanamine
CID 115106658
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
1-(2-methylpropyl)-6-phenylindole
CID 166911432
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
(1-but-3-ynylindol-6-yl)methanol
CID 102913204
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
(1-tert-butylindol-6-yl)methanol
CID 161052286
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)indol-6-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)indol-6-yl]methanol (CID 102913005) is [1-(2-methylpropyl)indol-6-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)indol-6-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)indol-6-yl]methanol is CC(C)Cn1ccc2ccc(CO)cc21.
What is the InChIKey of [1-(2-methylpropyl)indol-6-yl]methanol?
The InChIKey is NZDBABZZHHSYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)8-14-6-5-12-4-3-11(9-15)7-13(12)14/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)indol-6-yl]methanol?
[1-(2-methylpropyl)indol-6-yl]methanol has a molecular weight of 203.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)indol-6-yl]methanol is sourced from PubChem (CID 102913005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).