(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone

C13H10Br2O2S — CID 79982159

IUPAC(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(Br)s2)c(Br)c1
InChIInChI=1S/C13H10Br2O2S/c1-7-5-11(18-13(7)15)12(16)9-4-3-8(17-2)6-10(9)14/h3-6H,1-2H3
InChIKeyBDYOKYPOWSCLKP-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.82
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone

(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (PubChem CID 79982159) has the molecular formula C13H10Br2O2S and a molecular weight of 390.10 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
PubChem CID79982159
Molecular FormulaC13H10Br2O2S
Molecular Weight390.10 g/mol
Exact Mass387.88
IUPAC Name(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(Br)s2)c(Br)c1
InChIInChI=1S/C13H10Br2O2S/c1-7-5-11(18-13(7)15)12(16)9-4-3-8(17-2)6-10(9)14/h3-6H,1-2H3
InChIKeyBDYOKYPOWSCLKP-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(2-amino-3,5-dimethoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 115950911
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone (CID 79982159) is (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is COc1ccc(C(=O)c2cc(C)c(Br)s2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
The InChIKey is BDYOKYPOWSCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O2S/c1-7-5-11(18-13(7)15)12(16)9-4-3-8(17-2)6-10(9)14/h3-6H,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone?
(2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone has a molecular weight of 390.10 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79982159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).