1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol

C18H27NO3 — CID 83944727

IUPAC1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C18H27NO3/c1-5-8-9-19-12-15(13(4)20)14-10-17(21-6-2)18(22-7-3)11-16(14)19/h10-13,20H,5-9H2,1-4H3
InChIKeyKRWBXJBKNLWLCZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.29
Rot. Bonds8

About 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol

1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol (PubChem CID 83944727) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
PubChem CID83944727
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C18H27NO3/c1-5-8-9-19-12-15(13(4)20)14-10-17(21-6-2)18(22-7-3)11-16(14)19/h10-13,20H,5-9H2,1-4H3
InChIKeyKRWBXJBKNLWLCZ-UHFFFAOYSA-N
XLogP4.29
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
CID 83944699
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
CID 83944411
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381
1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
CID 83944914
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol?
The IUPAC name of 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol (CID 83944727) is 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol?
The canonical SMILES for 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol is CCCCn1cc(C(C)O)c2cc(OCC)c(OCC)cc21.
What is the InChIKey of 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol?
The InChIKey is KRWBXJBKNLWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-8-9-19-12-15(13(4)20)14-10-17(21-6-2)18(22-7-3)11-16(14)19/h10-13,20H,5-9H2,1-4H3.
What are the key properties of 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol?
1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol has a molecular weight of 305.42 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol is sourced from PubChem (CID 83944727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).