5-methoxy-2-propan-2-yl-3H-indole

C12H15NO — CID 158556156

IUPAC5-methoxy-2-propan-2-yl-3H-indole
SMILESCOc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C12H15NO/c1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12/h4-6,8H,7H2,1-3H3
InChIKeyQAQUYKKEPKGERG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.98
Rot. Bonds2

About 5-methoxy-2-propan-2-yl-3H-indole

5-methoxy-2-propan-2-yl-3H-indole (PubChem CID 158556156) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methoxy-2-propan-2-yl-3H-indole.

Molecular Properties

Compound Name5-methoxy-2-propan-2-yl-3H-indole
PubChem CID158556156
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-methoxy-2-propan-2-yl-3H-indole
SMILESCOc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C12H15NO/c1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12/h4-6,8H,7H2,1-3H3
InChIKeyQAQUYKKEPKGERG-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methoxy-3H-indazole
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3,6-dimethoxy-10H-anthracen-9-one
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6-methoxy-3-propan-2-ylquinolin-2-amine
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6-methoxy-1H-isoindole
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2-methoxy-11H-indeno[1,2-b]quinolin-8-ol
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6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-propan-2-yl-3H-indole?
The IUPAC name of 5-methoxy-2-propan-2-yl-3H-indole (CID 158556156) is 5-methoxy-2-propan-2-yl-3H-indole.
What is the SMILES notation for 5-methoxy-2-propan-2-yl-3H-indole?
The canonical SMILES for 5-methoxy-2-propan-2-yl-3H-indole is COc1ccc2c(c1)CC(C(C)C)=N2.
What is the InChIKey of 5-methoxy-2-propan-2-yl-3H-indole?
The InChIKey is QAQUYKKEPKGERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-methoxy-2-propan-2-yl-3H-indole?
5-methoxy-2-propan-2-yl-3H-indole has a molecular weight of 189.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-propan-2-yl-3H-indole is sourced from PubChem (CID 158556156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).