3-[2-(2-methylpropyl)phenyl]thiophene

C14H16S — CID 58439651

IUPAC3-[2-(2-methylpropyl)phenyl]thiophene
SMILESCC(C)Cc1ccccc1-c1ccsc1
InChIInChI=1S/C14H16S/c1-11(2)9-12-5-3-4-6-14(12)13-7-8-15-10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyUOPWPUUZIYLRDA-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.61
Rot. Bonds3

About 3-[2-(2-methylpropyl)phenyl]thiophene

3-[2-(2-methylpropyl)phenyl]thiophene (PubChem CID 58439651) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)phenyl]thiophene.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)phenyl]thiophene
PubChem CID58439651
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name3-[2-(2-methylpropyl)phenyl]thiophene
SMILESCC(C)Cc1ccccc1-c1ccsc1
InChIInChI=1S/C14H16S/c1-11(2)9-12-5-3-4-6-14(12)13-7-8-15-10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyUOPWPUUZIYLRDA-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[2-(2-methylpropyl)phenyl]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

3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
3-Methylbenzo[b]thiophene
CID 73817
3-Methyl-4-phenylthiophene
CID 11993868
2,5-Diphenylthiophene
CID 74050
Benzothiophene, 4,5,6,7-tetrahydro-
CID 22946
2-(4-Fluorophenyl)thiophene
CID 21894783
3,3'-Dimethyl-2,2'-bithiophenyl
CID 642334
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850582
2,3-Diphenylthiophene
CID 2801736
2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene
CID 15616761
Thiophene, 2-(2-phenylethenyl)-
CID 1241314

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)phenyl]thiophene?
The IUPAC name of 3-[2-(2-methylpropyl)phenyl]thiophene (CID 58439651) is 3-[2-(2-methylpropyl)phenyl]thiophene.
What is the SMILES notation for 3-[2-(2-methylpropyl)phenyl]thiophene?
The canonical SMILES for 3-[2-(2-methylpropyl)phenyl]thiophene is CC(C)Cc1ccccc1-c1ccsc1.
What is the InChIKey of 3-[2-(2-methylpropyl)phenyl]thiophene?
The InChIKey is UOPWPUUZIYLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-11(2)9-12-5-3-4-6-14(12)13-7-8-15-10-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropyl)phenyl]thiophene?
3-[2-(2-methylpropyl)phenyl]thiophene has a molecular weight of 216.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)phenyl]thiophene is sourced from PubChem (CID 58439651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).