2-[(4-chlorophenoxy)methyl]-1-ethylindole

C17H16ClNO — CID 117173925

IUPAC2-[(4-chlorophenoxy)methyl]-1-ethylindole
SMILESCCn1c(COc2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C17H16ClNO/c1-2-19-15(11-13-5-3-4-6-17(13)19)12-20-16-9-7-14(18)8-10-16/h3-11H,2,12H2,1H3
InChIKeyPSDTUHHSWMNWBT-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.89
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-1-ethylindole

2-[(4-chlorophenoxy)methyl]-1-ethylindole (PubChem CID 117173925) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-ethylindole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-ethylindole
PubChem CID117173925
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-ethylindole
SMILESCCn1c(COc2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C17H16ClNO/c1-2-19-15(11-13-5-3-4-6-17(13)19)12-20-16-9-7-14(18)8-10-16/h3-11H,2,12H2,1H3
InChIKeyPSDTUHHSWMNWBT-UHFFFAOYSA-N
XLogP4.89
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
2-(ethoxymethyl)-1-ethylindole
CID 117173973
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-ethylindole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-ethylindole (CID 117173925) is 2-[(4-chlorophenoxy)methyl]-1-ethylindole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-ethylindole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-ethylindole is CCn1c(COc2ccc(Cl)cc2)cc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-ethylindole?
The InChIKey is PSDTUHHSWMNWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-19-15(11-13-5-3-4-6-17(13)19)12-20-16-9-7-14(18)8-10-16/h3-11H,2,12H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-ethylindole?
2-[(4-chlorophenoxy)methyl]-1-ethylindole has a molecular weight of 285.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-ethylindole is sourced from PubChem (CID 117173925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).