2-[(4-bromophenyl)methyl]thiophen-3-ol

C11H9BrOS — CID 121217171

IUPAC2-[(4-bromophenyl)methyl]thiophen-3-ol
SMILESOc1ccsc1Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrOS/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14-11/h1-6,13H,7H2
InChIKeyARVLYQMBEAKFNX-UHFFFAOYSA-N
MW269.16 g/mol
LogP3.81
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]thiophen-3-ol

2-[(4-bromophenyl)methyl]thiophen-3-ol (PubChem CID 121217171) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]thiophen-3-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]thiophen-3-ol
PubChem CID121217171
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name2-[(4-bromophenyl)methyl]thiophen-3-ol
SMILESOc1ccsc1Cc1ccc(Br)cc1
InChIInChI=1S/C11H9BrOS/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14-11/h1-6,13H,7H2
InChIKeyARVLYQMBEAKFNX-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]thiophen-3-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]thiophen-3-ol (CID 121217171) is 2-[(4-bromophenyl)methyl]thiophen-3-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]thiophen-3-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]thiophen-3-ol is Oc1ccsc1Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]thiophen-3-ol?
The InChIKey is ARVLYQMBEAKFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14-11/h1-6,13H,7H2.
What are the key properties of 2-[(4-bromophenyl)methyl]thiophen-3-ol?
2-[(4-bromophenyl)methyl]thiophen-3-ol has a molecular weight of 269.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]thiophen-3-ol is sourced from PubChem (CID 121217171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).