6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]

C20H19Cl2NO — CID 154297800

IUPAC6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]
SMILESCOC1CCCC(c2cccc(Cl)c2)C12C=Nc1cc(Cl)ccc12
InChIInChI=1S/C20H19Cl2NO/c1-24-19-7-3-6-16(13-4-2-5-14(21)10-13)20(19)12-23-18-11-15(22)8-9-17(18)20/h2,4-5,8-12,16,19H,3,6-7H2,1H3
InChIKeyKIJUDDCPHZPUSL-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.93
Rot. Bonds2

About 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]

6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole] (PubChem CID 154297800) has the molecular formula C20H19Cl2NO and a molecular weight of 360.28 g/mol. Its IUPAC name is 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]
PubChem CID154297800
Molecular FormulaC20H19Cl2NO
Molecular Weight360.28 g/mol
Exact Mass359.08
IUPAC Name6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]
SMILESCOC1CCCC(c2cccc(Cl)c2)C12C=Nc1cc(Cl)ccc12
InChIInChI=1S/C20H19Cl2NO/c1-24-19-7-3-6-16(13-4-2-5-14(21)10-13)20(19)12-23-18-11-15(22)8-9-17(18)20/h2,4-5,8-12,16,19H,3,6-7H2,1H3
InChIKeyKIJUDDCPHZPUSL-UHFFFAOYSA-N
XLogP5.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-propan-2-ylspiro[indole-3,3'-piperidine]
CID 154380480
(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-[5-chloro-2-(2,2,6,6-tetramethyloxan-4-yl)oxyphenyl]spiro[indole-3,3'-piperidine]
CID 151220358
2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)-2'-(5-fluoro-2-methylphenyl)spiro[indole-3,3'-piperidine]-1'-yl]acetyl fluoride
CID 150261729
2-[(6R,7R,8S)-6-but-1-en-2-yl-6'-chloro-8-(3-chlorophenyl)spiro[8,9-dihydro-6H-pyrido[2,1-c][1,2,4]triazine-7,3'-indole]-2-yl]ethanol
CID 150951263
1-[4-[2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]-4-ethynylphenoxy]piperidine-1-carbonyl]imidazolidin-2-one
CID 90897641
6-chloro-4'-(3-chlorophenyl)-6'-methoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 68903435
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
4-[4-bromo-2-[(2'R,3R,4'S)-6-chloro-4'-(3-chlorophenyl)spiro[indole-3,3'-piperidine]-2'-yl]phenoxy]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 150134497
1'-bromo-3-(3-chlorophenyl)-5-methoxyspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 141220685
methyl 6-(azepan-1-ylmethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51366256
2-[4-chloro-2-[(2'S,3S,4'R)-6-chloro-2'-(5-fluoro-2-methylphenyl)spiro[indole-3,3'-piperidine]-4'-yl]phenoxy]ethanamine
CID 151454420
1'-bromo-2-(3-chlorophenyl)-4-hydroxyimino-6-methoxyspiro[cyclohexane-1,3'-indole]-2'-one
CID 141220686

Frequently Asked Questions

What is the IUPAC name of 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]?
The IUPAC name of 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole] (CID 154297800) is 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole] is COC1CCCC(c2cccc(Cl)c2)C12C=Nc1cc(Cl)ccc12.
What is the InChIKey of 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]?
The InChIKey is KIJUDDCPHZPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO/c1-24-19-7-3-6-16(13-4-2-5-14(21)10-13)20(19)12-23-18-11-15(22)8-9-17(18)20/h2,4-5,8-12,16,19H,3,6-7H2,1H3.
What are the key properties of 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole]?
6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole] has a molecular weight of 360.28 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chloro-2-(3-chlorophenyl)-6-methoxyspiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 154297800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).