(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone

C14H13BrO3S — CID 81127883

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1sccc1OC
InChIInChI=1S/C14H13BrO3S/c1-8-6-12(18-3)9(7-10(8)15)13(16)14-11(17-2)4-5-19-14/h4-7H,1-3H3
InChIKeyONXUMPYEPQDKPP-UHFFFAOYSA-N
MW341.23 g/mol
LogP4.07
Rot. Bonds4

About (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone

(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127883) has the molecular formula C14H13BrO3S and a molecular weight of 341.23 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81127883
Molecular FormulaC14H13BrO3S
Molecular Weight341.23 g/mol
Exact Mass339.98
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1sccc1OC
InChIInChI=1S/C14H13BrO3S/c1-8-6-12(18-3)9(7-10(8)15)13(16)14-11(17-2)4-5-19-14/h4-7H,1-3H3
InChIKeyONXUMPYEPQDKPP-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764
(5-bromo-2-methoxy-4-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79981857
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone (CID 81127883) is (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone is COc1cc(C)c(Br)cc1C(=O)c1sccc1OC.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is ONXUMPYEPQDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3S/c1-8-6-12(18-3)9(7-10(8)15)13(16)14-11(17-2)4-5-19-14/h4-7H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone?
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 341.23 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).