(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol

C11H11BrOS2 — CID 80535842

IUPAC(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2sccc2Br)sc1C
InChIInChI=1S/C11H11BrOS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10,13H,1-2H3
InChIKeyOSKXYCDOFLPAAW-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.27
Rot. Bonds2

About (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol

(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol (PubChem CID 80535842) has the molecular formula C11H11BrOS2 and a molecular weight of 303.25 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
PubChem CID80535842
Molecular FormulaC11H11BrOS2
Molecular Weight303.25 g/mol
Exact Mass301.94
IUPAC Name(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2sccc2Br)sc1C
InChIInChI=1S/C11H11BrOS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10,13H,1-2H3
InChIKeyOSKXYCDOFLPAAW-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
N-[(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 80535679
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(3-bromothiophen-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502982
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79730854
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 65237462
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 65238690

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol (CID 80535842) is (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol is Cc1cc(C(O)c2sccc2Br)sc1C.
What is the InChIKey of (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The InChIKey is OSKXYCDOFLPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS2/c1-6-5-9(15-7(6)2)10(13)11-8(12)3-4-14-11/h3-5,10,13H,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol?
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol has a molecular weight of 303.25 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol is sourced from PubChem (CID 80535842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).