(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone

C12H8BrClOS — CID 114976021

IUPAC(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C12H8BrClOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,1H3
InChIKeyYPEYTEHKRCDTHG-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.70
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone

(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114976021) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID114976021
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C12H8BrClOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,1H3
InChIKeyYPEYTEHKRCDTHG-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(4-amino-3-bromophenyl)-(5-methylthiophen-3-yl)methanone
CID 116582141

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone (CID 114976021) is (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(Br)cc2Cl)cs1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is YPEYTEHKRCDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c1-7-4-8(6-16-7)12(15)10-3-2-9(13)5-11(10)14/h2-6H,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 315.62 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).