(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone

C12H8BrClOS — CID 107096206

IUPAC(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1sccc1Br
InChIInChI=1S/C12H8BrClOS/c1-7-8(3-2-4-10(7)14)11(15)12-9(13)5-6-16-12/h2-6H,1H3
InChIKeyOAFVLBWVZWVHBV-UHFFFAOYSA-N
MW315.62 g/mol
LogP4.70
Rot. Bonds2

About (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone

(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107096206) has the molecular formula C12H8BrClOS and a molecular weight of 315.62 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107096206
Molecular FormulaC12H8BrClOS
Molecular Weight315.62 g/mol
Exact Mass313.92
IUPAC Name(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1sccc1Br
InChIInChI=1S/C12H8BrClOS/c1-7-8(3-2-4-10(7)14)11(15)12-9(13)5-6-16-12/h2-6H,1H3
InChIKeyOAFVLBWVZWVHBV-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

(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141
(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
CID 106683861
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(3-bromothiophen-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 114939072
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone (CID 107096206) is (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is OAFVLBWVZWVHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClOS/c1-7-8(3-2-4-10(7)14)11(15)12-9(13)5-6-16-12/h2-6H,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone?
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)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 (3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107096206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).