1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone

C14H17NO3 — CID 82498460

IUPAC1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc(OC)c2c1c(C(C)=O)c(C)n2C
InChIInChI=1S/C14H17NO3/c1-8-12(9(2)16)13-10(17-4)6-7-11(18-5)14(13)15(8)3/h6-7H,1-5H3
InChIKeyVDPHQVZWWFXHSH-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.71
Rot. Bonds3

About 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone (PubChem CID 82498460) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
PubChem CID82498460
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
SMILESCOc1ccc(OC)c2c1c(C(C)=O)c(C)n2C
InChIInChI=1S/C14H17NO3/c1-8-12(9(2)16)13-10(17-4)6-7-11(18-5)14(13)15(8)3/h6-7H,1-5H3
InChIKeyVDPHQVZWWFXHSH-UHFFFAOYSA-N
XLogP2.71
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
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
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-(1,8-dimethoxy-3,6-dimethylnaphthalen-2-yl)ethanone
CID 872909
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(3-chloro-7-methoxy-1-methylindol-2-yl)ethanone
CID 115042358

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone?
The IUPAC name of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone (CID 82498460) is 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone.
What is the SMILES notation for 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone?
The canonical SMILES for 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone is COc1ccc(OC)c2c1c(C(C)=O)c(C)n2C.
What is the InChIKey of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone?
The InChIKey is VDPHQVZWWFXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-12(9(2)16)13-10(17-4)6-7-11(18-5)14(13)15(8)3/h6-7H,1-5H3.
What are the key properties of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone?
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone has a molecular weight of 247.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone is sourced from PubChem (CID 82498460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).