1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone

C12H12ClNO2 — CID 115042358

IUPAC1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
SMILESCOc1cccc2c(Cl)c(C(C)=O)n(C)c12
InChIInChI=1S/C12H12ClNO2/c1-7(15)11-10(13)8-5-4-6-9(16-3)12(8)14(11)2/h4-6H,1-3H3
InChIKeyXINLCWYTRPRRLD-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.04
Rot. Bonds2

About 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone

1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone (PubChem CID 115042358) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
PubChem CID115042358
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
SMILESCOc1cccc2c(Cl)c(C(C)=O)n(C)c12
InChIInChI=1S/C12H12ClNO2/c1-7(15)11-10(13)8-5-4-6-9(16-3)12(8)14(11)2/h4-6H,1-3H3
InChIKeyXINLCWYTRPRRLD-UHFFFAOYSA-N
XLogP3.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-chloro-7-methoxy-1-methylindol-3-yl)-2-methylprop-2-enoic acid
CID 82269385
1-[2-chloro-7-methoxy-1-(2-methoxyethyl)indol-3-yl]ethanone
CID 82269421
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
3-amino-8-methoxy-9-methyl-2H-pyrazolo[3,4-b]quinolin-4-one
CID 14958935
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
CID 55912370
(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
CID 115050313
1-[1-[2-(dimethylamino)ethyl]-7-methoxyindol-3-yl]ethanone
CID 117098685

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone (CID 115042358) is 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone is COc1cccc2c(Cl)c(C(C)=O)n(C)c12.
What is the InChIKey of 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone?
The InChIKey is XINLCWYTRPRRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7(15)11-10(13)8-5-4-6-9(16-3)12(8)14(11)2/h4-6H,1-3H3.
What are the key properties of 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone?
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone has a molecular weight of 237.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone is sourced from PubChem (CID 115042358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).