(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone

C14H12Br2O2S — CID 79981857

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H12Br2O2S/c1-7-4-11(18-3)9(6-10(7)15)13(17)12-5-8(2)14(16)19-12/h4-6H,1-3H3
InChIKeyACWHWPRCTSPULD-UHFFFAOYSA-N
MW404.12 g/mol
LogP5.13
Rot. Bonds3

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

(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 79981857) has the molecular formula C14H12Br2O2S and a molecular weight of 404.12 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID79981857
Molecular FormulaC14H12Br2O2S
Molecular Weight404.12 g/mol
Exact Mass401.89
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H12Br2O2S/c1-7-4-11(18-3)9(6-10(7)15)13(17)12-5-8(2)14(16)19-12/h4-6H,1-3H3
InChIKeyACWHWPRCTSPULD-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.12
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79982159
(2-amino-3,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 115950911
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(2-amino-6-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 81414808
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
(5-bromo-2-methoxy-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65438948
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 79981857) is (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is COc1cc(C)c(Br)cc1C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is ACWHWPRCTSPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2S/c1-7-4-11(18-3)9(6-10(7)15)13(17)12-5-8(2)14(16)19-12/h4-6H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone has a molecular weight of 404.12 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).