1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

C14H17NO2 — CID 82279193

IUPAC1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCOc1cccc2[nH]c(C)c(C(=O)C(C)C)c12
InChIInChI=1S/C14H17NO2/c1-8(2)14(16)12-9(3)15-10-6-5-7-11(17-4)13(10)12/h5-8,15H,1-4H3
InChIKeyRPKKHZDIVRKEAA-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 82279193) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID82279193
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCOc1cccc2[nH]c(C)c(C(=O)C(C)C)c12
InChIInChI=1S/C14H17NO2/c1-8(2)14(16)12-9(3)15-10-6-5-7-11(17-4)13(10)12/h5-8,15H,1-4H3
InChIKeyRPKKHZDIVRKEAA-UHFFFAOYSA-N
XLogP3.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
(E)-3-(4-methoxy-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279144
N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
N-cyclopentyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110848681
3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110852347
4-methoxy-2-methyl-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 110863455
4,8-dimethoxy-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 19926889
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
1-(4,7-dimethoxy-1,2-dimethylindol-3-yl)-2-methylpropan-1-one
CID 142666969
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 51483799
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (CID 82279193) is 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is COc1cccc2[nH]c(C)c(C(=O)C(C)C)c12.
What is the InChIKey of 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is RPKKHZDIVRKEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-8(2)14(16)12-9(3)15-10-6-5-7-11(17-4)13(10)12/h5-8,15H,1-4H3.
What are the key properties of 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 231.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82279193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).