[4-(2,5-dibromothiophen-3-yl)phenyl]methanol

C11H8Br2OS — CID 46895705

IUPAC[4-(2,5-dibromothiophen-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H8Br2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2
InChIKeyZWDVCNYYMZIKIF-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.43
Rot. Bonds2

About [4-(2,5-dibromothiophen-3-yl)phenyl]methanol

[4-(2,5-dibromothiophen-3-yl)phenyl]methanol (PubChem CID 46895705) has the molecular formula C11H8Br2OS and a molecular weight of 348.06 g/mol. Its IUPAC name is [4-(2,5-dibromothiophen-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dibromothiophen-3-yl)phenyl]methanol
PubChem CID46895705
Molecular FormulaC11H8Br2OS
Molecular Weight348.06 g/mol
Exact Mass345.87
IUPAC Name[4-(2,5-dibromothiophen-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H8Br2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2
InChIKeyZWDVCNYYMZIKIF-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dibromothiophen-3-yl)phenyl]methanol?
The IUPAC name of [4-(2,5-dibromothiophen-3-yl)phenyl]methanol (CID 46895705) is [4-(2,5-dibromothiophen-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(2,5-dibromothiophen-3-yl)phenyl]methanol?
The canonical SMILES for [4-(2,5-dibromothiophen-3-yl)phenyl]methanol is OCc1ccc(-c2cc(Br)sc2Br)cc1.
What is the InChIKey of [4-(2,5-dibromothiophen-3-yl)phenyl]methanol?
The InChIKey is ZWDVCNYYMZIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-5,14H,6H2.
What are the key properties of [4-(2,5-dibromothiophen-3-yl)phenyl]methanol?
[4-(2,5-dibromothiophen-3-yl)phenyl]methanol has a molecular weight of 348.06 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dibromothiophen-3-yl)phenyl]methanol is sourced from PubChem (CID 46895705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).