1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone

C20H21NO2 — CID 21380816

IUPAC1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C20H21NO2/c1-14-8-10-17(11-9-14)23-13-12-21-15(2)20(16(3)22)18-6-4-5-7-19(18)21/h4-11H,12-13H2,1-3H3
InChIKeyORDWBRZGWIZONA-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.54
Rot. Bonds5

About 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone

1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 21380816) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
PubChem CID21380816
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C20H21NO2/c1-14-8-10-17(11-9-14)23-13-12-21-15(2)20(16(3)22)18-6-4-5-7-19(18)21/h4-11H,12-13H2,1-3H3
InChIKeyORDWBRZGWIZONA-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 46500469
1-[1-[2-(3,4-dimethylphenoxy)ethyl]-2-methylindol-3-yl]ethanone
CID 21380818
1-[1-[3-(2-chlorophenoxy)propyl]-2-methylindol-3-yl]ethanone
CID 21380832
N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
CID 176898905
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
CID 143391090
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300
1-carbazol-9-yl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]propan-2-ol;oxalic acid
CID 2905393
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone (CID 21380816) is 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone is CC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is ORDWBRZGWIZONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-8-10-17(11-9-14)23-13-12-21-15(2)20(16(3)22)18-6-4-5-7-19(18)21/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 21380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).