2-benzyl-3-methoxythiophene

C12H12OS — CID 15717784

IUPAC2-benzyl-3-methoxythiophene
SMILESCOc1ccsc1Cc1ccccc1
InChIInChI=1S/C12H12OS/c1-13-11-7-8-14-12(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyDHIQBHKRVHKEDJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.35
Rot. Bonds3

About 2-benzyl-3-methoxythiophene

2-benzyl-3-methoxythiophene (PubChem CID 15717784) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-benzyl-3-methoxythiophene.

Molecular Properties

Compound Name2-benzyl-3-methoxythiophene
PubChem CID15717784
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-benzyl-3-methoxythiophene
SMILESCOc1ccsc1Cc1ccccc1
InChIInChI=1S/C12H12OS/c1-13-11-7-8-14-12(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyDHIQBHKRVHKEDJ-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxythiophene?
The IUPAC name of 2-benzyl-3-methoxythiophene (CID 15717784) is 2-benzyl-3-methoxythiophene.
What is the SMILES notation for 2-benzyl-3-methoxythiophene?
The canonical SMILES for 2-benzyl-3-methoxythiophene is COc1ccsc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxythiophene?
The InChIKey is DHIQBHKRVHKEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-13-11-7-8-14-12(11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-benzyl-3-methoxythiophene?
2-benzyl-3-methoxythiophene has a molecular weight of 204.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxythiophene is sourced from PubChem (CID 15717784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).