4-bromo-2-[(2-phenylphenoxy)methyl]thiophene

C17H13BrOS — CID 63458851

IUPAC4-bromo-2-[(2-phenylphenoxy)methyl]thiophene
SMILESBrc1csc(COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C17H13BrOS/c18-14-10-15(20-12-14)11-19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyPUVDZTYJCNVOCX-UHFFFAOYSA-N
MW345.26 g/mol
LogP5.76
Rot. Bonds4

About 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene

4-bromo-2-[(2-phenylphenoxy)methyl]thiophene (PubChem CID 63458851) has the molecular formula C17H13BrOS and a molecular weight of 345.26 g/mol. Its IUPAC name is 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[(2-phenylphenoxy)methyl]thiophene
PubChem CID63458851
Molecular FormulaC17H13BrOS
Molecular Weight345.26 g/mol
Exact Mass343.99
IUPAC Name4-bromo-2-[(2-phenylphenoxy)methyl]thiophene
SMILESBrc1csc(COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C17H13BrOS/c18-14-10-15(20-12-14)11-19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyPUVDZTYJCNVOCX-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.26
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene?
The IUPAC name of 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene (CID 63458851) is 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene?
The canonical SMILES for 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene is Brc1csc(COc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene?
The InChIKey is PUVDZTYJCNVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrOS/c18-14-10-15(20-12-14)11-19-17-9-5-4-8-16(17)13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene?
4-bromo-2-[(2-phenylphenoxy)methyl]thiophene has a molecular weight of 345.26 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-phenylphenoxy)methyl]thiophene is sourced from PubChem (CID 63458851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).