2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene

C14H14BrClO3S — CID 105057182

IUPAC2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C14H14BrClO3S/c1-17-8-4-13(20-7-8)14(16)9-5-12(19-3)10(15)6-11(9)18-2/h4-7,14H,1-3H3
InChIKeyJKDBNRWKDDGRKG-UHFFFAOYSA-N
MW377.69 g/mol
LogP4.86
Rot. Bonds5

About 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene

2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene (PubChem CID 105057182) has the molecular formula C14H14BrClO3S and a molecular weight of 377.69 g/mol. Its IUPAC name is 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene.

Molecular Properties

Compound Name2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
PubChem CID105057182
Molecular FormulaC14H14BrClO3S
Molecular Weight377.69 g/mol
Exact Mass375.95
IUPAC Name2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene
SMILESCOc1csc(C(Cl)c2cc(OC)c(Br)cc2OC)c1
InChIInChI=1S/C14H14BrClO3S/c1-17-8-4-13(20-7-8)14(16)9-5-12(19-3)10(15)6-11(9)18-2/h4-7,14H,1-3H3
InChIKeyJKDBNRWKDDGRKG-UHFFFAOYSA-N
XLogP4.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.69
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121817
5-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 105057143
2-[(3-bromothiophen-2-yl)-chloromethyl]-4-methoxythiophene
CID 81124555
2-[chloro-(4-methoxynaphthalen-1-yl)methyl]-4-methoxythiophene
CID 81118931
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
CID 81125250
1-(4-bromothiophen-3-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105010987
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 107959191
2,3-dibromo-5-[chloro-(2,5-dimethoxyphenyl)methyl]thiophene
CID 80534556
(5-bromo-2-methoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118645
(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81127508

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene?
The IUPAC name of 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene (CID 105057182) is 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene.
What is the SMILES notation for 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene?
The canonical SMILES for 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene is COc1csc(C(Cl)c2cc(OC)c(Br)cc2OC)c1.
What is the InChIKey of 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene?
The InChIKey is JKDBNRWKDDGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO3S/c1-17-8-4-13(20-7-8)14(16)9-5-12(19-3)10(15)6-11(9)18-2/h4-7,14H,1-3H3.
What are the key properties of 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene?
2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene has a molecular weight of 377.69 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,5-dimethoxyphenyl)-chloromethyl]-4-methoxythiophene is sourced from PubChem (CID 105057182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).