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

C17H23NO — CID 107449693

IUPAC1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C17H23NO/c1-12(2)13-5-4-9-17(19,11-13)15-6-3-7-16-14(15)8-10-18-16/h3,6-8,10,12-13,18-19H,4-5,9,11H2,1-2H3
InChIKeyRHXDABOGGPSQGR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds2

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

1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449693) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449693
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C17H23NO/c1-12(2)13-5-4-9-17(19,11-13)15-6-3-7-16-14(15)8-10-18-16/h3,6-8,10,12-13,18-19H,4-5,9,11H2,1-2H3
InChIKeyRHXDABOGGPSQGR-UHFFFAOYSA-N
XLogP4.20
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449740
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 115351923
1-(2-chlorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090612
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol (CID 107449693) is 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(c2cccc3[nH]ccc23)C1.
What is the InChIKey of 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is RHXDABOGGPSQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)13-5-4-9-17(19,11-13)15-6-3-7-16-14(15)8-10-18-16/h3,6-8,10,12-13,18-19H,4-5,9,11H2,1-2H3.
What are the key properties of 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol?
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).