2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene

C15H17BrO2S — CID 83068073

IUPAC2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Br)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C15H17BrO2S/c1-9-7-11(8-10(2)14(9)18-4)13(16)15-12(17-3)5-6-19-15/h5-8,13H,1-4H3
InChIKeyOFNGNULCQHDOHI-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.87
Rot. Bonds4

About 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene

2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene (PubChem CID 83068073) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene.

Molecular Properties

Compound Name2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
PubChem CID83068073
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Br)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C15H17BrO2S/c1-9-7-11(8-10(2)14(9)18-4)13(16)15-12(17-3)5-6-19-15/h5-8,13H,1-4H3
InChIKeyOFNGNULCQHDOHI-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(4-phenylphenyl)methyl]-3-methoxythiophene
CID 81119082
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 81124104
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
CID 81124929
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
CID 63443253
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988
2-[bromo-(3,4,5-trimethoxyphenyl)methyl]thiophene
CID 61096299
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylthiophene
CID 61096679

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The IUPAC name of 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene (CID 83068073) is 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene.
What is the SMILES notation for 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The canonical SMILES for 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene is COc1ccsc1C(Br)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
The InChIKey is OFNGNULCQHDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-9-7-11(8-10(2)14(9)18-4)13(16)15-12(17-3)5-6-19-15/h5-8,13H,1-4H3.
What are the key properties of 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene?
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene has a molecular weight of 341.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-3-methoxythiophene is sourced from PubChem (CID 83068073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).