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

C10H8BrClOS2 — CID 102834978

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H8BrClOS2/c1-5-3-14-4-6(5)9(13)8-2-7(11)10(12)15-8/h2-4,9,13H,1H3
InChIKeyWGZHUCSJZZNKDD-UHFFFAOYSA-N
MW323.66 g/mol
LogP4.62
Rot. Bonds2

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

(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol (PubChem CID 102834978) has the molecular formula C10H8BrClOS2 and a molecular weight of 323.66 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
PubChem CID102834978
Molecular FormulaC10H8BrClOS2
Molecular Weight323.66 g/mol
Exact Mass321.89
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H8BrClOS2/c1-5-3-14-4-6(5)9(13)8-2-7(11)10(12)15-8/h2-4,9,13H,1H3
InChIKeyWGZHUCSJZZNKDD-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

(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(5-bromothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 79808941
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432747
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
(4-bromo-5-chlorothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679800
(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 105057003
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol (CID 102834978) is (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol is Cc1cscc1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is WGZHUCSJZZNKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS2/c1-5-3-14-4-6(5)9(13)8-2-7(11)10(12)15-8/h2-4,9,13H,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-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-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102834978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).