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

C16H21NO3 — CID 142666969

IUPAC1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
SMILESCOc1ccc(OC)c2c1c(C(=O)C(C)C)c(C)n2C
InChIInChI=1S/C16H21NO3/c1-9(2)16(18)13-10(3)17(4)15-12(20-6)8-7-11(19-5)14(13)15/h7-9H,1-6H3
InChIKeyQRUCHMOCEMTQAX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.34
Rot. Bonds4

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

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one (PubChem CID 142666969) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
PubChem CID142666969
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
SMILESCOc1ccc(OC)c2c1c(C(=O)C(C)C)c(C)n2C
InChIInChI=1S/C16H21NO3/c1-9(2)16(18)13-10(3)17(4)15-12(20-6)8-7-11(19-5)14(13)15/h7-9H,1-6H3
InChIKeyQRUCHMOCEMTQAX-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)ethanone
CID 82498460
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
1-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 82499395
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
4-methoxy-1,3-dimethyl-7-propan-2-ylindole-2-carboxylic acid
CID 167379811
methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947
2-amino-3-(2-bromo-7-methoxy-1,4-dimethylindol-3-yl)propanoic acid
CID 84646705
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 2150950

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one (CID 142666969) is 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one is COc1ccc(OC)c2c1c(C(=O)C(C)C)c(C)n2C.
What is the InChIKey of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one?
The InChIKey is QRUCHMOCEMTQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-9(2)16(18)13-10(3)17(4)15-12(20-6)8-7-11(19-5)14(13)15/h7-9H,1-6H3.
What are the key properties of 1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one?
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one has a molecular weight of 275.35 g/mol, XLogP of 3.34, 4 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)-2-methylpropan-1-one is sourced from PubChem (CID 142666969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).