2-[(4-methylphenyl)methyl]thiophene

C12H12S — CID 10845308

IUPAC2-[(4-methylphenyl)methyl]thiophene
SMILESCc1ccc(Cc2cccs2)cc1
InChIInChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
InChIKeyKSZBBGSOBWUIOV-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.65
Rot. Bonds2

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

2-[(4-methylphenyl)methyl]thiophene (PubChem CID 10845308) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]thiophene
PubChem CID10845308
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name2-[(4-methylphenyl)methyl]thiophene
SMILESCc1ccc(Cc2cccs2)cc1
InChIInChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
InChIKeyKSZBBGSOBWUIOV-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]thiophene?
The IUPAC name of 2-[(4-methylphenyl)methyl]thiophene (CID 10845308) is 2-[(4-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-[(4-methylphenyl)methyl]thiophene is Cc1ccc(Cc2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]thiophene?
The InChIKey is KSZBBGSOBWUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]thiophene?
2-[(4-methylphenyl)methyl]thiophene has a molecular weight of 188.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]thiophene is sourced from PubChem (CID 10845308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).