2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene

C15H17BrOS — CID 63439318

IUPAC2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene
SMILESCCOc1ccccc1C(Br)c1ccc(CC)s1
InChIInChI=1S/C15H17BrOS/c1-3-11-9-10-14(18-11)15(16)12-7-5-6-8-13(12)17-4-2/h5-10,15H,3-4H2,1-2H3
InChIKeyFPGSDVRNWXZLHB-UHFFFAOYSA-N
MW325.27 g/mol
LogP5.19
Rot. Bonds5

About 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene

2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene (PubChem CID 63439318) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene
PubChem CID63439318
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene
SMILESCCOc1ccccc1C(Br)c1ccc(CC)s1
InChIInChI=1S/C15H17BrOS/c1-3-11-9-10-14(18-11)15(16)12-7-5-6-8-13(12)17-4-2/h5-10,15H,3-4H2,1-2H3
InChIKeyFPGSDVRNWXZLHB-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.27
LogP ≤ 55.19
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

3-[bromo-(5-ethylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 63439268
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
CID 12875474
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099
2-[bromo-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylthiophene
CID 63438170
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-ethylthiophene
CID 107991596
2-[bromo-(2-ethoxy-5-methylphenyl)methyl]-5-methylthiophene
CID 63447966
2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106010953
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene (CID 63439318) is 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene is CCOc1ccccc1C(Br)c1ccc(CC)s1.
What is the InChIKey of 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene?
The InChIKey is FPGSDVRNWXZLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-3-11-9-10-14(18-11)15(16)12-7-5-6-8-13(12)17-4-2/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene?
2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene has a molecular weight of 325.27 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-ethoxyphenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 63439318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).