6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

C16H15Cl2NO — CID 3427840

IUPAC6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2ccc(Cl)c(C)c2N1
InChIInChI=1S/C16H15Cl2NO/c1-9-13(18)5-3-10-7-14(19-16(9)10)12-8-11(17)4-6-15(12)20-2/h3-6,8,14,19H,7H2,1-2H3
InChIKeyFQSCGFWUQYEDLJ-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.02
Rot. Bonds2

About 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole

6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 3427840) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID3427840
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(Cl)cc1C1Cc2ccc(Cl)c(C)c2N1
InChIInChI=1S/C16H15Cl2NO/c1-9-13(18)5-3-10-7-14(19-16(9)10)12-8-11(17)4-6-15(12)20-2/h3-6,8,14,19H,7H2,1-2H3
InChIKeyFQSCGFWUQYEDLJ-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3469469
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
6-chloro-2-(2-ethoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030559
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4017058
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
4-(5-chloro-2-methoxyphenyl)-1,3-oxazolidine
CID 175424496
2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3436838
2-(2,5-dichlorophenyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3247891
2-tert-butyl-6-chloro-7-methyl-2,3-dihydro-1H-indole
CID 4575819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 3427840) is 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is COc1ccc(Cl)cc1C1Cc2ccc(Cl)c(C)c2N1.
What is the InChIKey of 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is FQSCGFWUQYEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-9-13(18)5-3-10-7-14(19-16(9)10)12-8-11(17)4-6-15(12)20-2/h3-6,8,14,19H,7H2,1-2H3.
What are the key properties of 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole?
6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 308.21 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-2-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3427840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).