2-(3-chlorophenyl)-4-methylthiophene

C11H9ClS — CID 173145539

IUPAC2-(3-chlorophenyl)-4-methylthiophene
SMILESCc1csc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H9ClS/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-7H,1H3
InChIKeyPSVHTXYFWGAYEZ-UHFFFAOYSA-N
MW208.71 g/mol
LogP4.38
Rot. Bonds1

About 2-(3-chlorophenyl)-4-methylthiophene

2-(3-chlorophenyl)-4-methylthiophene (PubChem CID 173145539) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methylthiophene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methylthiophene
PubChem CID173145539
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name2-(3-chlorophenyl)-4-methylthiophene
SMILESCc1csc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C11H9ClS/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-7H,1H3
InChIKeyPSVHTXYFWGAYEZ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chlorophenyl)-N-ethylthiophen-3-amine
CID 10752382
[2-chloro-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650124
2-chloro-4-(4-methylthiophen-2-yl)benzoic acid
CID 53445529
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
4-(3-chlorophenyl)-5-methyl-3H-pyrrole
CID 118683231
4-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 23330088
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-chloro-3-methylbenzene;ethane
CID 123907748
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61337270
1-[5-(3-chlorophenyl)thiophen-2-yl]ethanone
CID 4190812

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methylthiophene?
The IUPAC name of 2-(3-chlorophenyl)-4-methylthiophene (CID 173145539) is 2-(3-chlorophenyl)-4-methylthiophene.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methylthiophene?
The canonical SMILES for 2-(3-chlorophenyl)-4-methylthiophene is Cc1csc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methylthiophene?
The InChIKey is PSVHTXYFWGAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-7H,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-methylthiophene?
2-(3-chlorophenyl)-4-methylthiophene has a molecular weight of 208.71 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methylthiophene is sourced from PubChem (CID 173145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).