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

C11H11BrOS2 — CID 115820072

IUPAC(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cscc2Br)sc1C
InChIInChI=1S/C11H11BrOS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11,13H,1-2H3
InChIKeyCFZTZCDPZOFQLU-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.27
Rot. Bonds2

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

(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol (PubChem CID 115820072) has the molecular formula C11H11BrOS2 and a molecular weight of 303.25 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
PubChem CID115820072
Molecular FormulaC11H11BrOS2
Molecular Weight303.25 g/mol
Exact Mass301.94
IUPAC Name(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cscc2Br)sc1C
InChIInChI=1S/C11H11BrOS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11,13H,1-2H3
InChIKeyCFZTZCDPZOFQLU-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

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Related Compounds

(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(4-bromothiophen-3-yl)-(4-chlorothiophen-2-yl)methanol
CID 79595609
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 65238690
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol (CID 115820072) is (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol is Cc1cc(C(O)c2cscc2Br)sc1C.
What is the InChIKey of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol?
The InChIKey is CFZTZCDPZOFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS2/c1-6-3-10(15-7(6)2)11(13)8-4-14-5-9(8)12/h3-5,11,13H,1-2H3.
What are the key properties of (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol?
(4-bromothiophen-3-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 (4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol is sourced from PubChem (CID 115820072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).