2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone

C18H17NO2 — CID 43163430

IUPAC2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)c1c[nH]c2cc(C)ccc12
InChIInChI=1S/C18H17NO2/c1-12-7-8-14-15(11-19-16(14)9-12)17(20)10-13-5-3-4-6-18(13)21-2/h3-9,11,19H,10H2,1-2H3
InChIKeyUDJBAGZFOKMNTI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone

2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone (PubChem CID 43163430) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
PubChem CID43163430
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccccc1CC(=O)c1c[nH]c2cc(C)ccc12
InChIInChI=1S/C18H17NO2/c1-12-7-8-14-15(11-19-16(14)9-12)17(20)10-13-5-3-4-6-18(13)21-2/h3-9,11,19H,10H2,1-2H3
InChIKeyUDJBAGZFOKMNTI-UHFFFAOYSA-N
XLogP3.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
3-methoxy-6-methyl-1H-indole
CID 58841092
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
CID 122689707
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone (CID 43163430) is 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone is COc1ccccc1CC(=O)c1c[nH]c2cc(C)ccc12.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone?
The InChIKey is UDJBAGZFOKMNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-7-8-14-15(11-19-16(14)9-12)17(20)10-13-5-3-4-6-18(13)21-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone?
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 43163430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).