3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole

C16H14ClNO — CID 117185653

IUPAC3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
SMILESCc1ccc2c(COc3ccccc3Cl)c[nH]c2c1
InChIInChI=1S/C16H14ClNO/c1-11-6-7-13-12(9-18-15(13)8-11)10-19-16-5-3-2-4-14(16)17/h2-9,18H,10H2,1H3
InChIKeyCFDLTULQJXRCBN-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.71
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole

3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole (PubChem CID 117185653) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
PubChem CID117185653
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
SMILESCc1ccc2c(COc3ccccc3Cl)c[nH]c2c1
InChIInChI=1S/C16H14ClNO/c1-11-6-7-13-12(9-18-15(13)8-11)10-19-16-5-3-2-4-14(16)17/h2-9,18H,10H2,1H3
InChIKeyCFDLTULQJXRCBN-UHFFFAOYSA-N
XLogP4.71
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650
3-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185652
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
6-fluoro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117178425
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
3-[(2-methoxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117178684

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole (CID 117185653) is 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole is Cc1ccc2c(COc3ccccc3Cl)c[nH]c2c1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole?
The InChIKey is CFDLTULQJXRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-11-6-7-13-12(9-18-15(13)8-11)10-19-16-5-3-2-4-14(16)17/h2-9,18H,10H2,1H3.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole?
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole has a molecular weight of 271.75 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole is sourced from PubChem (CID 117185653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).