1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone

C14H17NO2 — CID 82495458

IUPAC1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
SMILESCOc1ccc(C)c2c(C(C)=O)c(C)n(C)c12
InChIInChI=1S/C14H17NO2/c1-8-6-7-11(17-5)14-12(8)13(10(3)16)9(2)15(14)4/h6-7H,1-5H3
InChIKeyPXXCHGCZRIZBCX-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.01
Rot. Bonds2

About 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone

1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone (PubChem CID 82495458) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
PubChem CID82495458
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
SMILESCOc1ccc(C)c2c(C(C)=O)c(C)n(C)c12
InChIInChI=1S/C14H17NO2/c1-8-6-7-11(17-5)14-12(8)13(10(3)16)9(2)15(14)4/h6-7H,1-5H3
InChIKeyPXXCHGCZRIZBCX-UHFFFAOYSA-N
XLogP3.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
3-acetyl-1,4,7-trimethylindole-2-carboxylic acid
CID 84631873
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
CID 84631857
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone?
The IUPAC name of 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone (CID 82495458) is 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone is COc1ccc(C)c2c(C(C)=O)c(C)n(C)c12.
What is the InChIKey of 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone?
The InChIKey is PXXCHGCZRIZBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8-6-7-11(17-5)14-12(8)13(10(3)16)9(2)15(14)4/h6-7H,1-5H3.
What are the key properties of 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone?
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone is sourced from PubChem (CID 82495458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).