5-chloro-1-(3,3-diethoxypropyl)indole

C15H20ClNO2 — CID 55258806

IUPAC5-chloro-1-(3,3-diethoxypropyl)indole
SMILESCCOC(CCn1ccc2cc(Cl)ccc21)OCC
InChIInChI=1S/C15H20ClNO2/c1-3-18-15(19-4-2)8-10-17-9-7-12-11-13(16)5-6-14(12)17/h5-7,9,11,15H,3-4,8,10H2,1-2H3
InChIKeyLOCSJTSNELHNDZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.08
Rot. Bonds7

About 5-chloro-1-(3,3-diethoxypropyl)indole

5-chloro-1-(3,3-diethoxypropyl)indole (PubChem CID 55258806) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-chloro-1-(3,3-diethoxypropyl)indole.

Molecular Properties

Compound Name5-chloro-1-(3,3-diethoxypropyl)indole
PubChem CID55258806
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name5-chloro-1-(3,3-diethoxypropyl)indole
SMILESCCOC(CCn1ccc2cc(Cl)ccc21)OCC
InChIInChI=1S/C15H20ClNO2/c1-3-18-15(19-4-2)8-10-17-9-7-12-11-13(16)5-6-14(12)17/h5-7,9,11,15H,3-4,8,10H2,1-2H3
InChIKeyLOCSJTSNELHNDZ-UHFFFAOYSA-N
XLogP4.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(2-propan-2-yloxyethyl)indole
CID 116623109
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
N-[2-(5-chloroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63879375
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
5-chloro-1-ethylindole;ethyl formate
CID 174344649
1-but-3-enyl-5-chloroindole
CID 84573302
N-[2-(5-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 63879551
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,3-diethoxypropyl)indole?
The IUPAC name of 5-chloro-1-(3,3-diethoxypropyl)indole (CID 55258806) is 5-chloro-1-(3,3-diethoxypropyl)indole.
What is the SMILES notation for 5-chloro-1-(3,3-diethoxypropyl)indole?
The canonical SMILES for 5-chloro-1-(3,3-diethoxypropyl)indole is CCOC(CCn1ccc2cc(Cl)ccc21)OCC.
What is the InChIKey of 5-chloro-1-(3,3-diethoxypropyl)indole?
The InChIKey is LOCSJTSNELHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-3-18-15(19-4-2)8-10-17-9-7-12-11-13(16)5-6-14(12)17/h5-7,9,11,15H,3-4,8,10H2,1-2H3.
What are the key properties of 5-chloro-1-(3,3-diethoxypropyl)indole?
5-chloro-1-(3,3-diethoxypropyl)indole has a molecular weight of 281.78 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,3-diethoxypropyl)indole is sourced from PubChem (CID 55258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).