4,6-dichloro-1-(3-methoxycyclohexyl)indole

C15H17Cl2NO — CID 103428154

IUPAC4,6-dichloro-1-(3-methoxycyclohexyl)indole
SMILESCOC1CCCC(n2ccc3c(Cl)cc(Cl)cc32)C1
InChIInChI=1S/C15H17Cl2NO/c1-19-12-4-2-3-11(9-12)18-6-5-13-14(17)7-10(16)8-15(13)18/h5-8,11-12H,2-4,9H2,1H3
InChIKeyNGXNKYRUEGLOTJ-UHFFFAOYSA-N
MW298.21 g/mol
LogP5.08
Rot. Bonds2

About 4,6-dichloro-1-(3-methoxycyclohexyl)indole

4,6-dichloro-1-(3-methoxycyclohexyl)indole (PubChem CID 103428154) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 4,6-dichloro-1-(3-methoxycyclohexyl)indole.

Molecular Properties

Compound Name4,6-dichloro-1-(3-methoxycyclohexyl)indole
PubChem CID103428154
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name4,6-dichloro-1-(3-methoxycyclohexyl)indole
SMILESCOC1CCCC(n2ccc3c(Cl)cc(Cl)cc32)C1
InChIInChI=1S/C15H17Cl2NO/c1-19-12-4-2-3-11(9-12)18-6-5-13-14(17)7-10(16)8-15(13)18/h5-8,11-12H,2-4,9H2,1H3
InChIKeyNGXNKYRUEGLOTJ-UHFFFAOYSA-N
XLogP5.08
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.21
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-(3-methoxycyclohexyl)indole
CID 113342463
4-chloro-1-(3-methylsulfonylcyclohexyl)indole
CID 116623808
1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457664
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871703
1-[(3R)-3-methoxycyclohexyl]imidazole
CID 175222056
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dichloroindole
CID 103428250
4,6-dichloro-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 103428444
5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
CID 104665311
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(3-methoxycyclohexyl)indole?
The IUPAC name of 4,6-dichloro-1-(3-methoxycyclohexyl)indole (CID 103428154) is 4,6-dichloro-1-(3-methoxycyclohexyl)indole.
What is the SMILES notation for 4,6-dichloro-1-(3-methoxycyclohexyl)indole?
The canonical SMILES for 4,6-dichloro-1-(3-methoxycyclohexyl)indole is COC1CCCC(n2ccc3c(Cl)cc(Cl)cc32)C1.
What is the InChIKey of 4,6-dichloro-1-(3-methoxycyclohexyl)indole?
The InChIKey is NGXNKYRUEGLOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-19-12-4-2-3-11(9-12)18-6-5-13-14(17)7-10(16)8-15(13)18/h5-8,11-12H,2-4,9H2,1H3.
What are the key properties of 4,6-dichloro-1-(3-methoxycyclohexyl)indole?
4,6-dichloro-1-(3-methoxycyclohexyl)indole has a molecular weight of 298.21 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(3-methoxycyclohexyl)indole is sourced from PubChem (CID 103428154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).