1-methoxy-2-propan-2-ylindole

C12H15NO — CID 68858925

IUPAC1-methoxy-2-propan-2-ylindole
SMILESCOn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C12H15NO/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)14-3/h4-9H,1-3H3
InChIKeyOKCGMBAIVZGWSW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.82
Rot. Bonds2

About 1-methoxy-2-propan-2-ylindole

1-methoxy-2-propan-2-ylindole (PubChem CID 68858925) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methoxy-2-propan-2-ylindole.

Molecular Properties

Compound Name1-methoxy-2-propan-2-ylindole
PubChem CID68858925
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-methoxy-2-propan-2-ylindole
SMILESCOn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C12H15NO/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)14-3/h4-9H,1-3H3
InChIKeyOKCGMBAIVZGWSW-UHFFFAOYSA-N
XLogP2.82
TPSA14.16 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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-propan-2-ylindole?
The IUPAC name of 1-methoxy-2-propan-2-ylindole (CID 68858925) is 1-methoxy-2-propan-2-ylindole.
What is the SMILES notation for 1-methoxy-2-propan-2-ylindole?
The canonical SMILES for 1-methoxy-2-propan-2-ylindole is COn1c(C(C)C)cc2ccccc21.
What is the InChIKey of 1-methoxy-2-propan-2-ylindole?
The InChIKey is OKCGMBAIVZGWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)12-8-10-6-4-5-7-11(10)13(12)14-3/h4-9H,1-3H3.
What are the key properties of 1-methoxy-2-propan-2-ylindole?
1-methoxy-2-propan-2-ylindole has a molecular weight of 189.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-propan-2-ylindole is sourced from PubChem (CID 68858925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).