3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole

C18H24ClN — CID 167255499

IUPAC3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole
SMILESCCCC/C(CC)=C(\CC)c1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C18H24ClN/c1-4-7-8-13(5-2)15(6-3)14-9-10-18-16(11-14)17(19)12-20-18/h9-12,20H,4-8H2,1-3H3/b15-13+
InChIKeyLGKHCDHXIZPVRK-FYWRMAATSA-N
MW289.85 g/mol
LogP6.59
Rot. Bonds6

About 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole

3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole (PubChem CID 167255499) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole.

Molecular Properties

Compound Name3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole
PubChem CID167255499
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole
SMILESCCCC/C(CC)=C(\CC)c1ccc2[nH]cc(Cl)c2c1
InChIInChI=1S/C18H24ClN/c1-4-7-8-13(5-2)15(6-3)14-9-10-18-16(11-14)17(19)12-20-18/h9-12,20H,4-8H2,1-3H3/b15-13+
InChIKeyLGKHCDHXIZPVRK-FYWRMAATSA-N
XLogP6.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

butyl 3-chloro-1H-indole-5-carboxylate
CID 174487827
1-(3-chloro-1H-indol-6-yl)propan-1-one
CID 69029999
ethyl 2-(3-chloro-1H-indol-5-yl)-2-hydroxyacetate
CID 117387028
(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
CID 134318703
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
methane;methyl 3-chloro-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 157434836
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273
1-(3-chloro-1H-indol-5-yl)-N-methoxymethanamine
CID 117300860
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
3-bromo-6-butyl-1H-quinolin-4-one
CID 114759349

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole?
The IUPAC name of 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole (CID 167255499) is 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole.
What is the SMILES notation for 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole?
The canonical SMILES for 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole is CCCC/C(CC)=C(\CC)c1ccc2[nH]cc(Cl)c2c1.
What is the InChIKey of 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole?
The InChIKey is LGKHCDHXIZPVRK-FYWRMAATSA-N. The full InChI is InChI=1S/C18H24ClN/c1-4-7-8-13(5-2)15(6-3)14-9-10-18-16(11-14)17(19)12-20-18/h9-12,20H,4-8H2,1-3H3/b15-13+.
What are the key properties of 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole?
3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole has a molecular weight of 289.85 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(E)-4-ethyloct-3-en-3-yl]-1H-indole is sourced from PubChem (CID 167255499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).