4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one

C14H17NO2 — CID 82495434

IUPAC4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
SMILESCOc1cc(C)cc2c(CCC(C)=O)c[nH]c12
InChIInChI=1S/C14H17NO2/c1-9-6-12-11(5-4-10(2)16)8-15-14(12)13(7-9)17-3/h6-8,15H,4-5H2,1-3H3
InChIKeyAJLGHFPYIJXVOB-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.01
Rot. Bonds4

About 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one

4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one (PubChem CID 82495434) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
PubChem CID82495434
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
SMILESCOc1cc(C)cc2c(CCC(C)=O)c[nH]c12
InChIInChI=1S/C14H17NO2/c1-9-6-12-11(5-4-10(2)16)8-15-14(12)13(7-9)17-3/h6-8,15H,4-5H2,1-3H3
InChIKeyAJLGHFPYIJXVOB-UHFFFAOYSA-N
XLogP3.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
8-methoxy-6-methyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84637704
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
(E)-3-(7-methoxy-5-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82495371
7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84637367
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
CID 82495071
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one (CID 82495434) is 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one is COc1cc(C)cc2c(CCC(C)=O)c[nH]c12.
What is the InChIKey of 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one?
The InChIKey is AJLGHFPYIJXVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-6-12-11(5-4-10(2)16)8-15-14(12)13(7-9)17-3/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one?
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one has a molecular weight of 231.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 82495434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).