1-(2,4-dimethoxyphenyl)-3-methylindole

C17H17NO2 — CID 151820555

IUPAC1-(2,4-dimethoxyphenyl)-3-methylindole
SMILESCOc1ccc(-n2cc(C)c3ccccc32)c(OC)c1
InChIInChI=1S/C17H17NO2/c1-12-11-18(15-7-5-4-6-14(12)15)16-9-8-13(19-2)10-17(16)20-3/h4-11H,1-3H3
InChIKeySCNPYFCMANMGQO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.96
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)-3-methylindole

1-(2,4-dimethoxyphenyl)-3-methylindole (PubChem CID 151820555) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-methylindole.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-methylindole
PubChem CID151820555
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(2,4-dimethoxyphenyl)-3-methylindole
SMILESCOc1ccc(-n2cc(C)c3ccccc32)c(OC)c1
InChIInChI=1S/C17H17NO2/c1-12-11-18(15-7-5-4-6-14(12)15)16-9-8-13(19-2)10-17(16)20-3/h4-11H,1-3H3
InChIKeySCNPYFCMANMGQO-UHFFFAOYSA-N
XLogP3.96
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl]acetic acid
CID 118158326
[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate
CID 66606986
1-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82422070
[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] butanoate
CID 172641185
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
1-(4-methoxyphenyl)sulfonyl-3-methylindole
CID 66853930
3,6-dimethoxy-9-(2-methylphenyl)carbazole
CID 132915560
(NE)-N-[1-[7-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]propylidene]hydroxylamine
CID 135432989
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
3-(2,4-dimethoxyphenyl)-1H-imidazol-2-one
CID 103125116
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977
5-(2,4-dimethoxyphenyl)-1,5,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,8,10,12,14,16-heptaen-6-one
CID 30466256

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylindole?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-methylindole (CID 151820555) is 1-(2,4-dimethoxyphenyl)-3-methylindole.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-methylindole?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-methylindole is COc1ccc(-n2cc(C)c3ccccc32)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-methylindole?
The InChIKey is SCNPYFCMANMGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-11-18(15-7-5-4-6-14(12)15)16-9-8-13(19-2)10-17(16)20-3/h4-11H,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-methylindole?
1-(2,4-dimethoxyphenyl)-3-methylindole has a molecular weight of 267.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-methylindole is sourced from PubChem (CID 151820555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).