3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole

C18H18ClNO — CID 117186319

IUPAC3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
SMILESCCn1cc(COc2ccc(Cl)cc2)c2cccc(C)c21
InChIInChI=1S/C18H18ClNO/c1-3-20-11-14(17-6-4-5-13(2)18(17)20)12-21-16-9-7-15(19)8-10-16/h4-11H,3,12H2,1-2H3
InChIKeyARNDUHULEODIFS-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.20
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole

3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole (PubChem CID 117186319) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
PubChem CID117186319
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
SMILESCCn1cc(COc2ccc(Cl)cc2)c2cccc(C)c21
InChIInChI=1S/C18H18ClNO/c1-3-20-11-14(17-6-4-5-13(2)18(17)20)12-21-16-9-7-15(19)8-10-16/h4-11H,3,12H2,1-2H3
InChIKeyARNDUHULEODIFS-UHFFFAOYSA-N
XLogP5.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
6-chloro-3-[(4-chlorophenoxy)methyl]-1-methylindole
CID 117178543
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
9-[3-(4-chlorophenoxy)propyl]-8-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 155511584
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
7-[(4-chlorophenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11681846

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole (CID 117186319) is 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole is CCn1cc(COc2ccc(Cl)cc2)c2cccc(C)c21.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole?
The InChIKey is ARNDUHULEODIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20-11-14(17-6-4-5-13(2)18(17)20)12-21-16-9-7-15(19)8-10-16/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole?
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole has a molecular weight of 299.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole is sourced from PubChem (CID 117186319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).