[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol

C13H8Br2OS3 — CID 163704234

IUPAC[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol
SMILESOCc1cc(-c2ccc(Br)s2)sc1-c1ccc(Br)s1
InChIInChI=1S/C13H8Br2OS3/c14-11-3-1-8(17-11)10-5-7(6-16)13(19-10)9-2-4-12(15)18-9/h1-5,16H,6H2
InChIKeyKDQHOOXCKXEFFM-UHFFFAOYSA-N
MW436.22 g/mol
LogP6.22
Rot. Bonds3

About [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol

[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol (PubChem CID 163704234) has the molecular formula C13H8Br2OS3 and a molecular weight of 436.22 g/mol. Its IUPAC name is [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol
PubChem CID163704234
Molecular FormulaC13H8Br2OS3
Molecular Weight436.22 g/mol
Exact Mass433.81
IUPAC Name[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol
SMILESOCc1cc(-c2ccc(Br)s2)sc1-c1ccc(Br)s1
InChIInChI=1S/C13H8Br2OS3/c14-11-3-1-8(17-11)10-5-7(6-16)13(19-10)9-2-4-12(15)18-9/h1-5,16H,6H2
InChIKeyKDQHOOXCKXEFFM-UHFFFAOYSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.22
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol?
The IUPAC name of [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol (CID 163704234) is [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol is OCc1cc(-c2ccc(Br)s2)sc1-c1ccc(Br)s1.
What is the InChIKey of [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol?
The InChIKey is KDQHOOXCKXEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2OS3/c14-11-3-1-8(17-11)10-5-7(6-16)13(19-10)9-2-4-12(15)18-9/h1-5,16H,6H2.
What are the key properties of [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol?
[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol has a molecular weight of 436.22 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 163704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).