5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole

C16H13Cl2NO — CID 117176769

IUPAC5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2NO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3
InChIKeyNKVWJNVUTBFFSS-UHFFFAOYSA-N
MW306.19 g/mol
LogP5.06
Rot. Bonds3

About 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole

5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole (PubChem CID 117176769) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
PubChem CID117176769
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2cccc(Cl)c2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2NO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3
InChIKeyNKVWJNVUTBFFSS-UHFFFAOYSA-N
XLogP5.06
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173307
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole?
The IUPAC name of 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole (CID 117176769) is 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole.
What is the SMILES notation for 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole?
The canonical SMILES for 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole is Cn1c(COc2cccc(Cl)c2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole?
The InChIKey is NKVWJNVUTBFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-19-14(8-11-7-13(18)5-6-16(11)19)10-20-15-4-2-3-12(17)9-15/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole?
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole has a molecular weight of 306.19 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117176769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).