5-chloro-1-ethyl-2-(phenoxymethyl)indole

C17H16ClNO — CID 117177204

IUPAC5-chloro-1-ethyl-2-(phenoxymethyl)indole
SMILESCCn1c(COc2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3
InChIKeyOHYADFLEFCQMDQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.89
Rot. Bonds4

About 5-chloro-1-ethyl-2-(phenoxymethyl)indole

5-chloro-1-ethyl-2-(phenoxymethyl)indole (PubChem CID 117177204) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-(phenoxymethyl)indole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-(phenoxymethyl)indole
PubChem CID117177204
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name5-chloro-1-ethyl-2-(phenoxymethyl)indole
SMILESCCn1c(COc2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3
InChIKeyOHYADFLEFCQMDQ-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

Analyze 5-chloro-1-ethyl-2-(phenoxymethyl)indole 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

1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-(phenoxymethyl)indole?
The IUPAC name of 5-chloro-1-ethyl-2-(phenoxymethyl)indole (CID 117177204) is 5-chloro-1-ethyl-2-(phenoxymethyl)indole.
What is the SMILES notation for 5-chloro-1-ethyl-2-(phenoxymethyl)indole?
The canonical SMILES for 5-chloro-1-ethyl-2-(phenoxymethyl)indole is CCn1c(COc2ccccc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-2-(phenoxymethyl)indole?
The InChIKey is OHYADFLEFCQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-19-15(12-20-16-6-4-3-5-7-16)11-13-10-14(18)8-9-17(13)19/h3-11H,2,12H2,1H3.
What are the key properties of 5-chloro-1-ethyl-2-(phenoxymethyl)indole?
5-chloro-1-ethyl-2-(phenoxymethyl)indole 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 5-chloro-1-ethyl-2-(phenoxymethyl)indole is sourced from PubChem (CID 117177204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).