2-[(4-chlorophenyl)methyl]-3-methylthiophene

Name: 2-[(4-chlorophenyl)methyl]-3-methylthiophene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₁ClS — CID 151166981

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(4-chlorophenyl)methyl]-3-methylthiophene

SMILESCc1ccsc1Cc1ccc(Cl)cc1

InChIInChI=1S/C12H11ClS/c1-9-6-7-14-12(9)8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3

InChIKeyNBLQNHBAKZJUCG-UHFFFAOYSA-N

MW222.74 g/mol

LogP4.30

Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-3-methylthiophene

2-[(4-chlorophenyl)methyl]-3-methylthiophene (PubChem CID 151166981) has the molecular formula C₁₂H₁₁ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name	2-[(4-chlorophenyl)methyl]-3-methylthiophene
PubChem CID	151166981
Molecular Formula	C₁₂H₁₁ClS
Molecular Weight	222.74 g/mol
Exact Mass	222.03
IUPAC Name	2-[(4-chlorophenyl)methyl]-3-methylthiophene
SMILES	Cc1ccsc1Cc1ccc(Cl)cc1
InChI	InChI=1S/C12H11ClS/c1-9-6-7-14-12(9)8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3
InChIKey	NBLQNHBAKZJUCG-UHFFFAOYSA-N
XLogP	4.30
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.74
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-methylthiophene?

The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-methylthiophene (CID 151166981) is 2-[(4-chlorophenyl)methyl]-3-methylthiophene.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-methylthiophene?

The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-methylthiophene is Cc1ccsc1Cc1ccc(Cl)cc1.

What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-methylthiophene?

The InChIKey is NBLQNHBAKZJUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-9-6-7-14-12(9)8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3.

What are the key properties of 2-[(4-chlorophenyl)methyl]-3-methylthiophene?

2-[(4-chlorophenyl)methyl]-3-methylthiophene has a molecular weight of 222.74 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 151166981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151166981 — identifiers, structure, computed properties (public domain)

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