2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene

C15H16BrClOS — CID 79975271

IUPAC2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
SMILESCCOc1ccc(Br)cc1C(Cl)c1sccc1CC
InChIInChI=1S/C15H16BrClOS/c1-3-10-7-8-19-15(10)14(17)12-9-11(16)5-6-13(12)18-4-2/h5-9,14H,3-4H2,1-2H3
InChIKeyDWEWIODXIOSERI-UHFFFAOYSA-N
MW359.72 g/mol
LogP5.80
Rot. Bonds5

About 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene

2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene (PubChem CID 79975271) has the molecular formula C15H16BrClOS and a molecular weight of 359.72 g/mol. Its IUPAC name is 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene.

Molecular Properties

Compound Name2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
PubChem CID79975271
Molecular FormulaC15H16BrClOS
Molecular Weight359.72 g/mol
Exact Mass357.98
IUPAC Name2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
SMILESCCOc1ccc(Br)cc1C(Cl)c1sccc1CC
InChIInChI=1S/C15H16BrClOS/c1-3-10-7-8-19-15(10)14(17)12-9-11(16)5-6-13(12)18-4-2/h5-9,14H,3-4H2,1-2H3
InChIKeyDWEWIODXIOSERI-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.72
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185
4-bromo-1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434442
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
3-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-methylthiophene
CID 79808236
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
CID 63434186
4-bromo-2-(1-chloro-3,3-dimethylbutyl)-1-ethoxybenzene
CID 55200436
1-(5-bromo-2-ethoxyphenyl)-1-chloropropan-2-one
CID 131321559
2-[chloro-(2,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79975785
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene?
The IUPAC name of 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene (CID 79975271) is 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene.
What is the SMILES notation for 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene?
The canonical SMILES for 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene is CCOc1ccc(Br)cc1C(Cl)c1sccc1CC.
What is the InChIKey of 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene?
The InChIKey is DWEWIODXIOSERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClOS/c1-3-10-7-8-19-15(10)14(17)12-9-11(16)5-6-13(12)18-4-2/h5-9,14H,3-4H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene?
2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene has a molecular weight of 359.72 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene is sourced from PubChem (CID 79975271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).