5-methoxy-3,7-dimethyl-1H-indole

C11H13NO — CID 82490544

IUPAC5-methoxy-3,7-dimethyl-1H-indole
SMILESCOc1cc(C)c2[nH]cc(C)c2c1
InChIInChI=1S/C11H13NO/c1-7-4-9(13-3)5-10-8(2)6-12-11(7)10/h4-6,12H,1-3H3
InChIKeyWLGLLOVBRHAHOL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.79
Rot. Bonds1

About 5-methoxy-3,7-dimethyl-1H-indole

5-methoxy-3,7-dimethyl-1H-indole (PubChem CID 82490544) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methoxy-3,7-dimethyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-3,7-dimethyl-1H-indole
PubChem CID82490544
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-methoxy-3,7-dimethyl-1H-indole
SMILESCOc1cc(C)c2[nH]cc(C)c2c1
InChIInChI=1S/C11H13NO/c1-7-4-9(13-3)5-10-8(2)6-12-11(7)10/h4-6,12H,1-3H3
InChIKeyWLGLLOVBRHAHOL-UHFFFAOYSA-N
XLogP2.79
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
N-ethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 168946806
7-methoxy-3-methyl-1H-indol-5-ol
CID 84655900
5,7-dimethoxy-1H-indol-3-amine
CID 82402843
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82493658
5-(1,1-difluoroprop-2-enyl)-3,7-dimethyl-1H-indole
CID 162613845

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,7-dimethyl-1H-indole?
The IUPAC name of 5-methoxy-3,7-dimethyl-1H-indole (CID 82490544) is 5-methoxy-3,7-dimethyl-1H-indole.
What is the SMILES notation for 5-methoxy-3,7-dimethyl-1H-indole?
The canonical SMILES for 5-methoxy-3,7-dimethyl-1H-indole is COc1cc(C)c2[nH]cc(C)c2c1.
What is the InChIKey of 5-methoxy-3,7-dimethyl-1H-indole?
The InChIKey is WLGLLOVBRHAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-4-9(13-3)5-10-8(2)6-12-11(7)10/h4-6,12H,1-3H3.
What are the key properties of 5-methoxy-3,7-dimethyl-1H-indole?
5-methoxy-3,7-dimethyl-1H-indole has a molecular weight of 175.23 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,7-dimethyl-1H-indole is sourced from PubChem (CID 82490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).