1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone

C18H17NO3 — CID 138857566

IUPAC1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
SMILESCOc1cc2cc(C(C)=O)n(-c3ccccc3)c2cc1OC
InChIInChI=1S/C18H17NO3/c1-12(20)15-9-13-10-17(21-2)18(22-3)11-16(13)19(15)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyAUNWOVYHEWEJAD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.85
Rot. Bonds4

About 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone

1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone (PubChem CID 138857566) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
PubChem CID138857566
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
SMILESCOc1cc2cc(C(C)=O)n(-c3ccccc3)c2cc1OC
InChIInChI=1S/C18H17NO3/c1-12(20)15-9-13-10-17(21-2)18(22-3)11-16(13)19(15)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyAUNWOVYHEWEJAD-UHFFFAOYSA-N
XLogP3.85
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857576
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
CID 53308687
(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
CID 161079184
ethyl 6-chloro-5-fluoro-1-phenylindole-2-carboxylate
CID 155377277
6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 67817793
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
4-phenyl-1,2-bis(3,4,5-trimethoxybenzoyl)-1,2,4-triazolidine-3,5-dione
CID 19775219
1-(4-chlorophenyl)-6,7-dimethoxy-2-phenylisoquinolin-3-one
CID 134912871
(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71828608

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone?
The IUPAC name of 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone (CID 138857566) is 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone is COc1cc2cc(C(C)=O)n(-c3ccccc3)c2cc1OC.
What is the InChIKey of 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone?
The InChIKey is AUNWOVYHEWEJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(20)15-9-13-10-17(21-2)18(22-3)11-16(13)19(15)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone?
1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone is sourced from PubChem (CID 138857566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).