4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol

C16H21NO — CID 81445074

IUPAC4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C16H21NO/c1-2-12-5-8-16(18,9-6-12)14-3-4-15-13(11-14)7-10-17-15/h3-4,7,10-12,17-18H,2,5-6,8-9H2,1H3
InChIKeyZCYZKYBKEJGCSW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.96
Rot. Bonds2

About 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol

4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol (PubChem CID 81445074) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol
PubChem CID81445074
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C16H21NO/c1-2-12-5-8-16(18,9-6-12)14-3-4-15-13(11-14)7-10-17-15/h3-4,7,10-12,17-18H,2,5-6,8-9H2,1H3
InChIKeyZCYZKYBKEJGCSW-UHFFFAOYSA-N
XLogP3.96
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol (CID 81445074) is 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol is CCC1CCC(O)(c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol?
The InChIKey is ZCYZKYBKEJGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-12-5-8-16(18,9-6-12)14-3-4-15-13(11-14)7-10-17-15/h3-4,7,10-12,17-18H,2,5-6,8-9H2,1H3.
What are the key properties of 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol?
4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1H-indol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 81445074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).