(2,5-dibromothiophen-3-yl)-phenylmethanol

C11H8Br2OS — CID 61083198

IUPAC(2,5-dibromothiophen-3-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6,10,14H
InChIKeyVXAPCAOXBYBVQW-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.35
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-phenylmethanol

(2,5-dibromothiophen-3-yl)-phenylmethanol (PubChem CID 61083198) has the molecular formula C11H8Br2OS and a molecular weight of 348.06 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-phenylmethanol
PubChem CID61083198
Molecular FormulaC11H8Br2OS
Molecular Weight348.06 g/mol
Exact Mass345.87
IUPAC Name(2,5-dibromothiophen-3-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H8Br2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6,10,14H
InChIKeyVXAPCAOXBYBVQW-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dibromothiophen-3-yl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-phenylmethanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-phenylmethanol (CID 61083198) is (2,5-dibromothiophen-3-yl)-phenylmethanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-phenylmethanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-phenylmethanol is OC(c1ccccc1)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-phenylmethanol?
The InChIKey is VXAPCAOXBYBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6,10,14H.
What are the key properties of (2,5-dibromothiophen-3-yl)-phenylmethanol?
(2,5-dibromothiophen-3-yl)-phenylmethanol has a molecular weight of 348.06 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-phenylmethanol is sourced from PubChem (CID 61083198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).