1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone

C18H17NO2 — CID 746058

IUPAC1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12-18(13(2)20)16-11-15(21-3)9-10-17(16)19(12)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyKGSDOASTIQMWFR-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.15
Rot. Bonds3

About 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone

1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone (PubChem CID 746058) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone
PubChem CID746058
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
InChIInChI=1S/C18H17NO2/c1-12-18(13(2)20)16-11-15(21-3)9-10-17(16)19(12)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyKGSDOASTIQMWFR-UHFFFAOYSA-N
XLogP4.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The IUPAC name of 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone (CID 746058) is 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone is COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1.
What is the InChIKey of 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone?
The InChIKey is KGSDOASTIQMWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-18(13(2)20)16-11-15(21-3)9-10-17(16)19(12)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone?
1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methyl-1-phenylindol-3-yl)ethanone is sourced from PubChem (CID 746058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).