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

C14H16S — CID 20771915

IUPAC3-[3-(2-methylpropyl)phenyl]thiophene
SMILESCC(C)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H16S/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15-10-14/h3-7,9-11H,8H2,1-2H3
InChIKeyMPHFGDBLLGJJAM-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.61
Rot. Bonds3

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

3-[3-(2-methylpropyl)phenyl]thiophene (PubChem CID 20771915) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)phenyl]thiophene.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)phenyl]thiophene
PubChem CID20771915
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name3-[3-(2-methylpropyl)phenyl]thiophene
SMILESCC(C)Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H16S/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15-10-14/h3-7,9-11H,8H2,1-2H3
InChIKeyMPHFGDBLLGJJAM-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

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Related Compounds

methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
cyclopenta[c]thiopyran
CID 584139
3-(3-methylphenyl)thiophene
CID 4130346
3-propan-2-yl-8-[(3-thiophen-3-ylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 134790070
N,N-dimethyl-N'-(thiophen-3-ylmethyl)-N'-[(3-thiophen-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171442406
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
ethane;3-(3-methylphenyl)thiophene
CID 143181540
3-[2-(3-thiophen-3-ylphenyl)ethyl]benzaldehyde
CID 19390188
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232
methanamine;3-thiophen-3-ylaniline
CID 144770494
3-[2-(2-methylpropyl)phenyl]thiophene
CID 58439651
methyl 3-[2-(3-thiophen-3-ylphenyl)ethyl]benzoate
CID 54449983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)phenyl]thiophene?
The IUPAC name of 3-[3-(2-methylpropyl)phenyl]thiophene (CID 20771915) is 3-[3-(2-methylpropyl)phenyl]thiophene.
What is the SMILES notation for 3-[3-(2-methylpropyl)phenyl]thiophene?
The canonical SMILES for 3-[3-(2-methylpropyl)phenyl]thiophene is CC(C)Cc1cccc(-c2ccsc2)c1.
What is the InChIKey of 3-[3-(2-methylpropyl)phenyl]thiophene?
The InChIKey is MPHFGDBLLGJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-11(2)8-12-4-3-5-13(9-12)14-6-7-15-10-14/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)phenyl]thiophene?
3-[3-(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-[3-(2-methylpropyl)phenyl]thiophene is sourced from PubChem (CID 20771915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).