(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol

C10H8BrClOS2 — CID 102834578

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
SMILESCc1sc(C(O)c2sccc2Cl)cc1Br
InChIInChI=1S/C10H8BrClOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4,9,13H,1H3
InChIKeyKPJJZDBYVSHDAH-UHFFFAOYSA-N
MW323.66 g/mol
LogP4.62
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol

(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 102834578) has the molecular formula C10H8BrClOS2 and a molecular weight of 323.66 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
PubChem CID102834578
Molecular FormulaC10H8BrClOS2
Molecular Weight323.66 g/mol
Exact Mass321.89
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
SMILESCc1sc(C(O)c2sccc2Cl)cc1Br
InChIInChI=1S/C10H8BrClOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4,9,13H,1H3
InChIKeyKPJJZDBYVSHDAH-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol (CID 102834578) is (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol is Cc1sc(C(O)c2sccc2Cl)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is KPJJZDBYVSHDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS2/c1-5-6(11)4-8(15-5)9(13)10-7(12)2-3-14-10/h2-4,9,13H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 323.66 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 102834578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).