2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene

C15H16S — CID 70851633

IUPAC2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C15H16S/c1-9(2)11-4-5-12-8-15-14(13(12)7-11)6-10(3)16-15/h4-7,9H,8H2,1-3H3
InChIKeyGQYOYCNZTPZEBG-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.75
Rot. Bonds1

About 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene

2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene (PubChem CID 70851633) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene
PubChem CID70851633
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene
SMILESCc1cc2c(s1)Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C15H16S/c1-9(2)11-4-5-12-8-15-14(13(12)7-11)6-10(3)16-15/h4-7,9H,8H2,1-3H3
InChIKeyGQYOYCNZTPZEBG-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene 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 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene?
The IUPAC name of 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene (CID 70851633) is 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene.
What is the SMILES notation for 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene?
The canonical SMILES for 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene is Cc1cc2c(s1)Cc1ccc(C(C)C)cc1-2.
What is the InChIKey of 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene?
The InChIKey is GQYOYCNZTPZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-9(2)11-4-5-12-8-15-14(13(12)7-11)6-10(3)16-15/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene?
2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene has a molecular weight of 228.36 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene is sourced from PubChem (CID 70851633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).