1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol

C17H21NO — CID 135073038

IUPAC1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol
SMILESCCC#CC(C)C(O)c1cc2ccccc2n1CC
InChIInChI=1S/C17H21NO/c1-4-6-9-13(3)17(19)16-12-14-10-7-8-11-15(14)18(16)5-2/h7-8,10-13,17,19H,4-5H2,1-3H3
InChIKeyRYWVJHYPJMYFIF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.74
Rot. Bonds3

About 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol

1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol (PubChem CID 135073038) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol.

Molecular Properties

Compound Name1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol
PubChem CID135073038
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol
SMILESCCC#CC(C)C(O)c1cc2ccccc2n1CC
InChIInChI=1S/C17H21NO/c1-4-6-9-13(3)17(19)16-12-14-10-7-8-11-15(14)18(16)5-2/h7-8,10-13,17,19H,4-5H2,1-3H3
InChIKeyRYWVJHYPJMYFIF-UHFFFAOYSA-N
XLogP3.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1H-indol-2-yl)methanol
CID 98783
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
2-(1H-indol-1-yl)-1-phenylethanol
CID 11842267
Indole-3-methanol, 1-ethyl-alpha-((methylamino)methyl)-
CID 21215
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
Indole-3-methanol, 1-methyl-alpha-((methylamino)methyl)-
CID 41502
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-dimethylamino)propyl)-, hydrochloride
CID 3043832
1H-(1,4)Oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((2-dimethylamino)ethyl)-, hydrochloride
CID 3043874
2-(1-Methyl-2-phenyl-3-indolyl)ethanol
CID 784721

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol?
The IUPAC name of 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol (CID 135073038) is 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol.
What is the SMILES notation for 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol?
The canonical SMILES for 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol is CCC#CC(C)C(O)c1cc2ccccc2n1CC.
What is the InChIKey of 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol?
The InChIKey is RYWVJHYPJMYFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-6-9-13(3)17(19)16-12-14-10-7-8-11-15(14)18(16)5-2/h7-8,10-13,17,19H,4-5H2,1-3H3.
What are the key properties of 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol?
1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-2-yl)-2-methylhex-3-yn-1-ol is sourced from PubChem (CID 135073038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).