6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole

C19H15BrCl3NO — CID 145206706

IUPAC6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole
SMILESC=C(OC)c1ccc(Cl)c(Cc2cc3c(Cl)cc(Br)cc3n2C)c1Cl
InChIInChI=1S/C19H15BrCl3NO/c1-10(25-3)13-4-5-16(21)15(19(13)23)9-12-8-14-17(22)6-11(20)7-18(14)24(12)2/h4-8H,1,9H2,2-3H3
InChIKeyCYVSMKCMBKGNNF-UHFFFAOYSA-N
MW459.60 g/mol
LogP7.11
Rot. Bonds4

About 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole

6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole (PubChem CID 145206706) has the molecular formula C19H15BrCl3NO and a molecular weight of 459.60 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole.

Molecular Properties

Compound Name6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole
PubChem CID145206706
Molecular FormulaC19H15BrCl3NO
Molecular Weight459.60 g/mol
Exact Mass456.94
IUPAC Name6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole
SMILESC=C(OC)c1ccc(Cl)c(Cc2cc3c(Cl)cc(Br)cc3n2C)c1Cl
InChIInChI=1S/C19H15BrCl3NO/c1-10(25-3)13-4-5-16(21)15(19(13)23)9-12-8-14-17(22)6-11(20)7-18(14)24(12)2/h4-8H,1,9H2,2-3H3
InChIKeyCYVSMKCMBKGNNF-UHFFFAOYSA-N
XLogP7.11
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2,6-dichloro-3-ethenylphenyl)methyl]-1-methylindole-6-carbonitrile
CID 145206371
2,4-dichloro-3-[(1,4-dimethyl-6-nitrosoindol-2-yl)methyl]benzoic acid
CID 146494487
methyl 2-[1-[1-[2,4-dichloro-3-[(5-cyano-1,4-dimethylindol-2-yl)methyl]phenyl]ethenyl]piperidin-4-yl]acetate
CID 145206598
2-[[2,6-dichloro-3-(morpholine-4-carbonyl)phenyl]methyl]-1,4-dimethylindole-6-carbaldehyde
CID 146493931
2-[[2,6-dichloro-3-[2-(oxan-4-yl)acetyl]phenyl]methyl]-1,4-dimethylindole-6-carbonitrile
CID 146950862
1-[2,4-dichloro-3-[[6-(1,1-difluoroprop-2-enyl)-1,4-dimethylindol-2-yl]methyl]benzoyl]-4-methylpiperidine-4-carboxylic acid
CID 145206433
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]phenyl]-[4-[hydroxy(methoxy)methyl]-2-azabicyclo[2.2.0]hexan-2-yl]methanone
CID 162613850
2-[1-[[2,4-dichloro-3-[(4,6-dichloro-1-methylindol-2-yl)methyl]phenyl]methyl]piperidin-4-yl]acetic acid
CID 172798942
1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,3-difluoropiperidin-4-yl]ethanone
CID 161446437
1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 146494254
3-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]piperidin-4-yl]butan-2-one
CID 158667689
2-[(2,6-dichloro-3-cyclopentyloxyphenyl)methyl]-1,4-dimethylindole-6-carbonitrile
CID 145203561

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole?
The IUPAC name of 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole (CID 145206706) is 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole.
What is the SMILES notation for 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole?
The canonical SMILES for 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole is C=C(OC)c1ccc(Cl)c(Cc2cc3c(Cl)cc(Br)cc3n2C)c1Cl.
What is the InChIKey of 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole?
The InChIKey is CYVSMKCMBKGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrCl3NO/c1-10(25-3)13-4-5-16(21)15(19(13)23)9-12-8-14-17(22)6-11(20)7-18(14)24(12)2/h4-8H,1,9H2,2-3H3.
What are the key properties of 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole?
6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole has a molecular weight of 459.60 g/mol, XLogP of 7.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-[[2,6-dichloro-3-(1-methoxyethenyl)phenyl]methyl]-1-methylindole is sourced from PubChem (CID 145206706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).