1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone

C14H16ClNO2 — CID 82268678

IUPAC1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
SMILESCOCCn1c(Cl)c(C(C)=O)c2cccc(C)c21
InChIInChI=1S/C14H16ClNO2/c1-9-5-4-6-11-12(10(2)17)14(15)16(13(9)11)7-8-18-3/h4-6H,7-8H2,1-3H3
InChIKeyZYFCODNFWXDVAE-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.45
Rot. Bonds4

About 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone

1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone (PubChem CID 82268678) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
PubChem CID82268678
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
SMILESCOCCn1c(Cl)c(C(C)=O)c2cccc(C)c21
InChIInChI=1S/C14H16ClNO2/c1-9-5-4-6-11-12(10(2)17)14(15)16(13(9)11)7-8-18-3/h4-6H,7-8H2,1-3H3
InChIKeyZYFCODNFWXDVAE-UHFFFAOYSA-N
XLogP3.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 82268674
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
1-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82268904
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82269459
N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-naphthalen-1-ylacetamide
CID 40888534
1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
4-chloro-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 175352139
2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The IUPAC name of 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone (CID 82268678) is 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone is COCCn1c(Cl)c(C(C)=O)c2cccc(C)c21.
What is the InChIKey of 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
The InChIKey is ZYFCODNFWXDVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-5-4-6-11-12(10(2)17)14(15)16(13(9)11)7-8-18-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone?
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone has a molecular weight of 265.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 82268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).