2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol

C16H21NO — CID 118162025

IUPAC2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol
SMILESCc1cc(C)c2ccn(C3CCCCC3O)c2c1
InChIInChI=1S/C16H21NO/c1-11-9-12(2)13-7-8-17(15(13)10-11)14-5-3-4-6-16(14)18/h7-10,14,16,18H,3-6H2,1-2H3
InChIKeyQJMASVHSLLODSI-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.73
Rot. Bonds1

About 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol

2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol (PubChem CID 118162025) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol
PubChem CID118162025
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol
SMILESCc1cc(C)c2ccn(C3CCCCC3O)c2c1
InChIInChI=1S/C16H21NO/c1-11-9-12(2)13-7-8-17(15(13)10-11)14-5-3-4-6-16(14)18/h7-10,14,16,18H,3-6H2,1-2H3
InChIKeyQJMASVHSLLODSI-UHFFFAOYSA-N
XLogP3.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol (CID 118162025) is 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol is Cc1cc(C)c2ccn(C3CCCCC3O)c2c1.
What is the InChIKey of 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol?
The InChIKey is QJMASVHSLLODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-9-12(2)13-7-8-17(15(13)10-11)14-5-3-4-6-16(14)18/h7-10,14,16,18H,3-6H2,1-2H3.
What are the key properties of 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol?
2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylindol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 118162025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).