2-[(2-bromophenyl)methyl]thiophene

C11H9BrS — CID 18427491

IUPAC2-[(2-bromophenyl)methyl]thiophene
SMILESBrc1ccccc1Cc1cccs1
InChIInChI=1S/C11H9BrS/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8H2
InChIKeyBDQQGVJVFCJWPB-UHFFFAOYSA-N
MW253.16 g/mol
LogP4.10
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]thiophene

2-[(2-bromophenyl)methyl]thiophene (PubChem CID 18427491) has the molecular formula C11H9BrS and a molecular weight of 253.16 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]thiophene
PubChem CID18427491
Molecular FormulaC11H9BrS
Molecular Weight253.16 g/mol
Exact Mass251.96
IUPAC Name2-[(2-bromophenyl)methyl]thiophene
SMILESBrc1ccccc1Cc1cccs1
InChIInChI=1S/C11H9BrS/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8H2
InChIKeyBDQQGVJVFCJWPB-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]thiophene?
The IUPAC name of 2-[(2-bromophenyl)methyl]thiophene (CID 18427491) is 2-[(2-bromophenyl)methyl]thiophene.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]thiophene?
The canonical SMILES for 2-[(2-bromophenyl)methyl]thiophene is Brc1ccccc1Cc1cccs1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]thiophene?
The InChIKey is BDQQGVJVFCJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrS/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-7H,8H2.
What are the key properties of 2-[(2-bromophenyl)methyl]thiophene?
2-[(2-bromophenyl)methyl]thiophene has a molecular weight of 253.16 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]thiophene is sourced from PubChem (CID 18427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).