2-(3-propan-2-ylphenyl)thiophene

C13H14S — CID 57011596

IUPAC2-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cccc(-c2cccs2)c1
InChIInChI=1S/C13H14S/c1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13/h3-10H,1-2H3
InChIKeyFIFBYVHTZJVBMI-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.54
Rot. Bonds2

About 2-(3-propan-2-ylphenyl)thiophene

2-(3-propan-2-ylphenyl)thiophene (PubChem CID 57011596) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)thiophene
PubChem CID57011596
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2-(3-propan-2-ylphenyl)thiophene
SMILESCC(C)c1cccc(-c2cccs2)c1
InChIInChI=1S/C13H14S/c1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13/h3-10H,1-2H3
InChIKeyFIFBYVHTZJVBMI-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-5-propan-2-ylphenyl)thiophene
CID 167222834
2-(3-propan-2-ylphenyl)-1,3-thiazole
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ethane;2-(3-methylphenyl)thiophene
CID 143181554
2-(3-fluorophenyl)thiophene
CID 22486407
2,3-di(propan-2-yl)-5-(3-propan-2-ylphenyl)thiophene
CID 58462658
ethyl (3S)-3-amino-3-(3-thiophen-2-ylphenyl)propanoate
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2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
2-(3-methylsulfonylphenyl)thiophene
CID 141164326

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)thiophene?
The IUPAC name of 2-(3-propan-2-ylphenyl)thiophene (CID 57011596) is 2-(3-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)thiophene?
The canonical SMILES for 2-(3-propan-2-ylphenyl)thiophene is CC(C)c1cccc(-c2cccs2)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)thiophene?
The InChIKey is FIFBYVHTZJVBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13/h3-10H,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenyl)thiophene?
2-(3-propan-2-ylphenyl)thiophene has a molecular weight of 202.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 57011596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).