2-[2-(4-methylphenyl)ethyl]thiophene

C13H14S — CID 10488340

IUPAC2-[2-(4-methylphenyl)ethyl]thiophene
SMILESCc1ccc(CCc2cccs2)cc1
InChIInChI=1S/C13H14S/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,8-9H2,1H3
InChIKeyGLSZCQWAKOCNER-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.84
Rot. Bonds3

About 2-[2-(4-methylphenyl)ethyl]thiophene

2-[2-(4-methylphenyl)ethyl]thiophene (PubChem CID 10488340) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethyl]thiophene
PubChem CID10488340
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name2-[2-(4-methylphenyl)ethyl]thiophene
SMILESCc1ccc(CCc2cccs2)cc1
InChIInChI=1S/C13H14S/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,8-9H2,1H3
InChIKeyGLSZCQWAKOCNER-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
CID 65145168
CID 59269201
CID 59269201
4-methyl-N-(4-methylphenyl)-N-[4-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]phenyl]aniline
CID 154532963
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
2-[4-chloro-3-(chloromethyl)-3-(4-methylphenyl)butyl]thiophene
CID 79446968
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
3-(4-methylphenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798620
5-methyl-4-(2-thiophen-2-ylethyl)-1,3-thiazole
CID 67577780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethyl]thiophene?
The IUPAC name of 2-[2-(4-methylphenyl)ethyl]thiophene (CID 10488340) is 2-[2-(4-methylphenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-(4-methylphenyl)ethyl]thiophene is Cc1ccc(CCc2cccs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethyl]thiophene?
The InChIKey is GLSZCQWAKOCNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethyl]thiophene?
2-[2-(4-methylphenyl)ethyl]thiophene has a molecular weight of 202.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethyl]thiophene is sourced from PubChem (CID 10488340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).