2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene

C23H22S — CID 18420453

IUPAC2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
SMILESCc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C23H22S/c1-15(2)17-8-10-18(11-9-17)21-6-4-5-19-13-20(14-22(19)21)23-12-7-16(3)24-23/h4-12,14-15H,13H2,1-3H3
InChIKeyOJDCGZRHGRDKKY-UHFFFAOYSA-N
MW330.50 g/mol
LogP6.94
Rot. Bonds3

About 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene

2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene (PubChem CID 18420453) has the molecular formula C23H22S and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
PubChem CID18420453
Molecular FormulaC23H22S
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
SMILESCc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)C)cc3)C2)s1
InChIInChI=1S/C23H22S/c1-15(2)17-8-10-18(11-9-17)21-6-4-5-19-13-20(14-22(19)21)23-12-7-16(3)24-23/h4-12,14-15H,13H2,1-3H3
InChIKeyOJDCGZRHGRDKKY-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene 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

2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420391
2-methyl-5-(4-naphthalen-2-yl-1H-inden-2-yl)thiophene
CID 18420530
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
2,4-bis(2-methylphenyl)-1H-indene
CID 139712954
2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
CID 173192414
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
N,N-dimethyl-4-phenyl-1H-inden-2-amine
CID 151077221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The IUPAC name of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene (CID 18420453) is 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The canonical SMILES for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene is Cc1ccc(C2=Cc3c(cccc3-c3ccc(C(C)C)cc3)C2)s1.
What is the InChIKey of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The InChIKey is OJDCGZRHGRDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22S/c1-15(2)17-8-10-18(11-9-17)21-6-4-5-19-13-20(14-22(19)21)23-12-7-16(3)24-23/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene has a molecular weight of 330.50 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene is sourced from PubChem (CID 18420453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).