2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone

C18H17NO2 — CID 62025582

IUPAC2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H17NO2/c1-13-5-3-4-6-16(13)18(20)12-19-10-9-14-11-15(21-2)7-8-17(14)19/h3-11H,12H2,1-2H3
InChIKeyAXJGFVCMKXTAQL-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone

2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone (PubChem CID 62025582) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
PubChem CID62025582
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H17NO2/c1-13-5-3-4-6-16(13)18(20)12-19-10-9-14-11-15(21-2)7-8-17(14)19/h3-11H,12H2,1-2H3
InChIKeyAXJGFVCMKXTAQL-UHFFFAOYSA-N
XLogP3.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 55889042
2-(6-fluoroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62023950
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111120024
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
CID 62023000
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone (CID 62025582) is 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone is COc1ccc2c(ccn2CC(=O)c2ccccc2C)c1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is AXJGFVCMKXTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-5-3-4-6-16(13)18(20)12-19-10-9-14-11-15(21-2)7-8-17(14)19/h3-11H,12H2,1-2H3.
What are the key properties of 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone?
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 62025582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).