7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole

C24H30N2O — CID 144940831

IUPAC7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
SMILESCOc1cccc2c(C(C)C)c[nH]c12.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/C12H15NO.C12H15N/c1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12/h4-8,13H,1-3H3;4-8,13H,1-3H3
InChIKeyJUUOQPFIAGSSGQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.90
Rot. Bonds3

About 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole

7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole (PubChem CID 144940831) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
PubChem CID144940831
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
SMILESCOc1cccc2c(C(C)C)c[nH]c12.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/C12H15NO.C12H15N/c1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12/h4-8,13H,1-3H3;4-8,13H,1-3H3
InChIKeyJUUOQPFIAGSSGQ-UHFFFAOYSA-N
XLogP6.90
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
CID 102584302
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063345
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
ethyl 7,7-bis(7-methoxy-1H-indol-3-yl)heptanoate
CID 66987125
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126918

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The IUPAC name of 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole (CID 144940831) is 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The canonical SMILES for 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole is COc1cccc2c(C(C)C)c[nH]c12.Cc1cccc2c(C(C)C)c[nH]c12.
What is the InChIKey of 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
The InChIKey is JUUOQPFIAGSSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H15N/c1-8(2)10-7-13-12-9(10)5-4-6-11(12)14-3;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12/h4-8,13H,1-3H3;4-8,13H,1-3H3.
What are the key properties of 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole?
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole has a molecular weight of 362.52 g/mol, XLogP of 6.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 144940831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).