1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one

C14H17NO2 — CID 82495456

IUPAC1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
SMILESCOc1ccc(C)c2c(CC(C)=O)cn(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-6-12(17-4)14-13(9)11(7-10(2)16)8-15(14)3/h5-6,8H,7H2,1-4H3
InChIKeyLHWXQRHXYHODGQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.63
Rot. Bonds3

About 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one

1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one (PubChem CID 82495456) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
PubChem CID82495456
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
SMILESCOc1ccc(C)c2c(CC(C)=O)cn(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-6-12(17-4)14-13(9)11(7-10(2)16)8-15(14)3/h5-6,8H,7H2,1-4H3
InChIKeyLHWXQRHXYHODGQ-UHFFFAOYSA-N
XLogP2.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
CID 82495903
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213
1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 91116192
1-(4-chloro-7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 83868411
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
2-amino-3-(2-bromo-7-methoxy-1,4-dimethylindol-3-yl)propanoic acid
CID 84646705
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one?
The IUPAC name of 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one (CID 82495456) is 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one.
What is the SMILES notation for 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one?
The canonical SMILES for 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one is COc1ccc(C)c2c(CC(C)=O)cn(C)c12.
What is the InChIKey of 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one?
The InChIKey is LHWXQRHXYHODGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-5-6-12(17-4)14-13(9)11(7-10(2)16)8-15(14)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one?
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one is sourced from PubChem (CID 82495456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).