2-methoxy-1-propan-2-ylindole

C12H15NO — CID 142640572

IUPAC2-methoxy-1-propan-2-ylindole
SMILESCOc1cc2ccccc2n1C(C)C
InChIInChI=1S/C12H15NO/c1-9(2)13-11-7-5-4-6-10(11)8-12(13)14-3/h4-9H,1-3H3
InChIKeyQZNWEOLURVJEEV-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.23
Rot. Bonds2

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

2-methoxy-1-propan-2-ylindole (PubChem CID 142640572) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methoxy-1-propan-2-ylindole.

Molecular Properties

Compound Name2-methoxy-1-propan-2-ylindole
PubChem CID142640572
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methoxy-1-propan-2-ylindole
SMILESCOc1cc2ccccc2n1C(C)C
InChIInChI=1S/C12H15NO/c1-9(2)13-11-7-5-4-6-10(11)8-12(13)14-3/h4-9H,1-3H3
InChIKeyQZNWEOLURVJEEV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194314
(1-propan-2-ylindol-2-yl)methanethiol
CID 117174071
1-(2-fluoroethyl)-2-methoxyindole
CID 174861451
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
1-(1-methoxypropan-2-yl)-2-methylindole
CID 70527172
1-propan-2-yl-3-(sulfanylmethyl)quinolin-2-one
CID 116985641
1-methoxy-2-propan-2-ylindole
CID 68858925
ethane;1-propan-2-yl-2-pyridin-3-ylindole
CID 161108582
2-(1-hydroxypyridin-1-ium-3-yl)-1-propan-2-ylindole
CID 146605291
1,3-di(propan-2-yl)benzimidazol-2-imine
CID 139205352
(E)-3-(2-oxo-1-propan-2-ylquinolin-3-yl)prop-2-enoic acid
CID 116985655
2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
CID 166894897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-propan-2-ylindole?
The IUPAC name of 2-methoxy-1-propan-2-ylindole (CID 142640572) is 2-methoxy-1-propan-2-ylindole.
What is the SMILES notation for 2-methoxy-1-propan-2-ylindole?
The canonical SMILES for 2-methoxy-1-propan-2-ylindole is COc1cc2ccccc2n1C(C)C.
What is the InChIKey of 2-methoxy-1-propan-2-ylindole?
The InChIKey is QZNWEOLURVJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)13-11-7-5-4-6-10(11)8-12(13)14-3/h4-9H,1-3H3.
What are the key properties of 2-methoxy-1-propan-2-ylindole?
2-methoxy-1-propan-2-ylindole has a molecular weight of 189.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-propan-2-ylindole is sourced from PubChem (CID 142640572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).