4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole

C16H15Cl2NO — CID 3987920

IUPAC4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3c(Cl)cc(Cl)cc3N2)c(C)c1
InChIInChI=1S/C16H15Cl2NO/c1-9-5-11(20-2)3-4-12(9)16-8-13-14(18)6-10(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3
InChIKeyJHKQHKLTUJUGHS-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.02
Rot. Bonds2

About 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole

4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3987920) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
PubChem CID3987920
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3c(Cl)cc(Cl)cc3N2)c(C)c1
InChIInChI=1S/C16H15Cl2NO/c1-9-5-11(20-2)3-4-12(9)16-8-13-14(18)6-10(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3
InChIKeyJHKQHKLTUJUGHS-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

4,6-dichloro-2-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole
CID 3997786
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261
4,6-dichloro-2-(2-ethoxyphenyl)-2,3-dihydro-1H-indole
CID 4030730
(4S)-4-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 171252808
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
2-(2,5-dimethoxyphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3436838
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
1-amino-3-(4-methoxyphenyl)urea;2-(2,4-dichlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 175152010
2-chloro-4-methoxy-1-methylbenzene
CID 6951757

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole (CID 3987920) is 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole is COc1ccc(C2Cc3c(Cl)cc(Cl)cc3N2)c(C)c1.
What is the InChIKey of 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is JHKQHKLTUJUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-9-5-11(20-2)3-4-12(9)16-8-13-14(18)6-10(17)7-15(13)19-16/h3-7,16,19H,8H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole?
4,6-dichloro-2-(4-methoxy-2-methylphenyl)-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 4,6-dichloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3987920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).