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

C15H11Cl2NO — CID 117175060

IUPAC5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
SMILESClc1ccc2[nH]cc(COc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11Cl2NO/c16-11-5-6-14-12(7-11)10(8-18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2
InChIKeyXWUPDKFZQWAMPZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP5.05
Rot. Bonds3

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

5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole (PubChem CID 117175060) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
PubChem CID117175060
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
SMILESClc1ccc2[nH]cc(COc3ccccc3Cl)c2c1
InChIInChI=1S/C15H11Cl2NO/c16-11-5-6-14-12(7-11)10(8-18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2
InChIKeyXWUPDKFZQWAMPZ-UHFFFAOYSA-N
XLogP5.05
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.17
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
3-[(2-fluorophenoxy)methyl]-1H-indol-5-amine
CID 117175051
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
3-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117171560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole?
The IUPAC name of 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole (CID 117175060) is 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole is Clc1ccc2[nH]cc(COc3ccccc3Cl)c2c1.
What is the InChIKey of 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole?
The InChIKey is XWUPDKFZQWAMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-11-5-6-14-12(7-11)10(8-18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2.
What are the key properties of 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole?
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole has a molecular weight of 292.17 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole is sourced from PubChem (CID 117175060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).