3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol

C19H29NO3 — CID 83944729

IUPAC3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
SMILESCCCCn1cc(CCCO)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C19H29NO3/c1-4-7-10-20-14-15(9-8-11-21)16-12-18(22-5-2)19(23-6-3)13-17(16)20/h12-14,21H,4-11H2,1-3H3
InChIKeyCDURFBLFIBEXNH-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.16
Rot. Bonds10

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

3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol (PubChem CID 83944729) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
PubChem CID83944729
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
SMILESCCCCn1cc(CCCO)c2cc(OCC)c(OCC)cc21
InChIInChI=1S/C19H29NO3/c1-4-7-10-20-14-15(9-8-11-21)16-12-18(22-5-2)19(23-6-3)13-17(16)20/h12-14,21H,4-11H2,1-3H3
InChIKeyCDURFBLFIBEXNH-UHFFFAOYSA-N
XLogP4.16
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
3-(5,6-diethoxy-1-methylindol-3-yl)propan-1-ol
CID 83944719
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
CID 83944727
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
CID 83948447
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350
2-(5,6-diethoxy-3-propylindol-1-yl)acetic acid
CID 83944711
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570
2-(5,6-diethoxy-3-methylindol-1-yl)ethanol
CID 83944699
2-[3-(3-hydroxypropyl)-5,6-dimethoxyindol-1-yl]acetic acid
CID 83944581
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol (CID 83944729) is 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol is CCCCn1cc(CCCO)c2cc(OCC)c(OCC)cc21.
What is the InChIKey of 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol?
The InChIKey is CDURFBLFIBEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-7-10-20-14-15(9-8-11-21)16-12-18(22-5-2)19(23-6-3)13-17(16)20/h12-14,21H,4-11H2,1-3H3.
What are the key properties of 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol?
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol has a molecular weight of 319.45 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol is sourced from PubChem (CID 83944729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).