5-methoxy-2,3,6-trimethyl-1H-indole

C12H15NO — CID 70181288

IUPAC5-methoxy-2,3,6-trimethyl-1H-indole
SMILESCOc1cc2c(C)c(C)[nH]c2cc1C
InChIInChI=1S/C12H15NO/c1-7-5-11-10(6-12(7)14-4)8(2)9(3)13-11/h5-6,13H,1-4H3
InChIKeyIVCIQJZVSGTVIB-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.10
Rot. Bonds1

About 5-methoxy-2,3,6-trimethyl-1H-indole

5-methoxy-2,3,6-trimethyl-1H-indole (PubChem CID 70181288) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methoxy-2,3,6-trimethyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-2,3,6-trimethyl-1H-indole
PubChem CID70181288
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-methoxy-2,3,6-trimethyl-1H-indole
SMILESCOc1cc2c(C)c(C)[nH]c2cc1C
InChIInChI=1S/C12H15NO/c1-7-5-11-10(6-12(7)14-4)8(2)9(3)13-11/h5-6,13H,1-4H3
InChIKeyIVCIQJZVSGTVIB-UHFFFAOYSA-N
XLogP3.10
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
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3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
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7-methoxy-6-methyl-9H-carbazol-3-amine
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7,8-dimethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indole
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2,3,5-trimethyl-1H-indole;vanadium
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5-methoxy-6-methyl-1H-indole-2-carbaldehyde
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CID 84629248

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,6-trimethyl-1H-indole?
The IUPAC name of 5-methoxy-2,3,6-trimethyl-1H-indole (CID 70181288) is 5-methoxy-2,3,6-trimethyl-1H-indole.
What is the SMILES notation for 5-methoxy-2,3,6-trimethyl-1H-indole?
The canonical SMILES for 5-methoxy-2,3,6-trimethyl-1H-indole is COc1cc2c(C)c(C)[nH]c2cc1C.
What is the InChIKey of 5-methoxy-2,3,6-trimethyl-1H-indole?
The InChIKey is IVCIQJZVSGTVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-5-11-10(6-12(7)14-4)8(2)9(3)13-11/h5-6,13H,1-4H3.
What are the key properties of 5-methoxy-2,3,6-trimethyl-1H-indole?
5-methoxy-2,3,6-trimethyl-1H-indole has a molecular weight of 189.26 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,6-trimethyl-1H-indole is sourced from PubChem (CID 70181288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).