3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole

C18H18ClNO — CID 117185740

IUPAC3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
SMILESCCn1cc(COc2ccccc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H18ClNO/c1-3-20-11-14(15-9-8-13(2)10-17(15)20)12-21-18-7-5-4-6-16(18)19/h4-11H,3,12H2,1-2H3
InChIKeyOMAZLEKWIQUDOL-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.20
Rot. Bonds4

About 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole

3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole (PubChem CID 117185740) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
PubChem CID117185740
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
SMILESCCn1cc(COc2ccccc2Cl)c2ccc(C)cc21
InChIInChI=1S/C18H18ClNO/c1-3-20-11-14(15-9-8-13(2)10-17(15)20)12-21-18-7-5-4-6-16(18)19/h4-11H,3,12H2,1-2H3
InChIKeyOMAZLEKWIQUDOL-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-[(2-methoxyphenoxy)methyl]-6-methylindole
CID 117185744
1-ethyl-3-(methoxymethyl)-6-methylindole
CID 117185769
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
3-[(2-chlorophenoxy)methyl]-6-methyl-1H-indole
CID 117185653
1-ethyl-3-[(2-hydroxyphenoxy)methyl]indole-6-carboxylic acid
CID 117179171
1-(1-ethyl-6-methylindol-3-yl)-N-methylmethanamine
CID 117185713
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
CID 117196204
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole (CID 117185740) is 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole is CCn1cc(COc2ccccc2Cl)c2ccc(C)cc21.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole?
The InChIKey is OMAZLEKWIQUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-20-11-14(15-9-8-13(2)10-17(15)20)12-21-18-7-5-4-6-16(18)19/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole?
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-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-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole is sourced from PubChem (CID 117185740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).