8-methoxy-1,1,2-trimethylbenzo[e]indole

C16H17NO — CID 59867157

IUPAC8-methoxy-1,1,2-trimethylbenzo[e]indole
SMILESCOc1ccc2ccc3c(c2c1)C(C)(C)C(C)=N3
InChIInChI=1S/C16H17NO/c1-10-16(2,3)15-13-9-12(18-4)7-5-11(13)6-8-14(15)17-10/h5-9H,1-4H3
InChIKeyJLZZGASEXYZLGB-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.23
Rot. Bonds1

About 8-methoxy-1,1,2-trimethylbenzo[e]indole

8-methoxy-1,1,2-trimethylbenzo[e]indole (PubChem CID 59867157) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 8-methoxy-1,1,2-trimethylbenzo[e]indole.

Molecular Properties

Compound Name8-methoxy-1,1,2-trimethylbenzo[e]indole
PubChem CID59867157
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name8-methoxy-1,1,2-trimethylbenzo[e]indole
SMILESCOc1ccc2ccc3c(c2c1)C(C)(C)C(C)=N3
InChIInChI=1S/C16H17NO/c1-10-16(2,3)15-13-9-12(18-4)7-5-11(13)6-8-14(15)17-10/h5-9H,1-4H3
InChIKeyJLZZGASEXYZLGB-UHFFFAOYSA-N
XLogP4.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-1,1,2-trimethylbenzo[e]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,1,2-trimethylbenzo[e]indole?
The IUPAC name of 8-methoxy-1,1,2-trimethylbenzo[e]indole (CID 59867157) is 8-methoxy-1,1,2-trimethylbenzo[e]indole.
What is the SMILES notation for 8-methoxy-1,1,2-trimethylbenzo[e]indole?
The canonical SMILES for 8-methoxy-1,1,2-trimethylbenzo[e]indole is COc1ccc2ccc3c(c2c1)C(C)(C)C(C)=N3.
What is the InChIKey of 8-methoxy-1,1,2-trimethylbenzo[e]indole?
The InChIKey is JLZZGASEXYZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-10-16(2,3)15-13-9-12(18-4)7-5-11(13)6-8-14(15)17-10/h5-9H,1-4H3.
What are the key properties of 8-methoxy-1,1,2-trimethylbenzo[e]indole?
8-methoxy-1,1,2-trimethylbenzo[e]indole has a molecular weight of 239.32 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,1,2-trimethylbenzo[e]indole is sourced from PubChem (CID 59867157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).