(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone

C12H7BrCl2OS — CID 80531678

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H7BrCl2OS/c1-6-2-3-7(4-8(6)14)11(16)10-5-9(15)12(13)17-10/h2-5H,1H3
InChIKeyOSCNWRVEPQFBOM-UHFFFAOYSA-N
MW350.06 g/mol
LogP5.36
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 80531678) has the molecular formula C12H7BrCl2OS and a molecular weight of 350.06 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
PubChem CID80531678
Molecular FormulaC12H7BrCl2OS
Molecular Weight350.06 g/mol
Exact Mass347.88
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H7BrCl2OS/c1-6-2-3-7(4-8(6)14)11(16)10-5-9(15)12(13)17-10/h2-5H,1H3
InChIKeyOSCNWRVEPQFBOM-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.06
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
CID 107960103
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
CID 102826674
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone (CID 80531678) is (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(Cl)c(Br)s2)cc1Cl.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is OSCNWRVEPQFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2OS/c1-6-2-3-7(4-8(6)14)11(16)10-5-9(15)12(13)17-10/h2-5H,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 350.06 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 80531678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).