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

C13H10BrClOS — CID 102826674

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Cl
InChIInChI=1S/C13H10BrClOS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6H,1-2H3
InChIKeyCUTHOHFKJCTNRC-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.01
Rot. Bonds2

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

(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone (PubChem CID 102826674) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
PubChem CID102826674
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Cl
InChIInChI=1S/C13H10BrClOS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6H,1-2H3
InChIKeyCUTHOHFKJCTNRC-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-5-methylthiophen-2-yl)-(3-iodophenyl)methanone
CID 102826651
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(4-chloro-3-methylphenyl)-(4-iodophenyl)methanone
CID 24723124
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone (CID 102826674) is (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cc(Br)c(C)s2)ccc1Cl.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone?
The InChIKey is CUTHOHFKJCTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6H,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone has a molecular weight of 329.65 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 102826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).