2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran

C14H14BrClO2 — CID 106689058

IUPAC2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran
SMILESCOCCc1ccc(C(Br)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H14BrClO2/c1-17-9-8-10-2-4-11(5-3-10)14(15)12-6-7-13(16)18-12/h2-7,14H,8-9H2,1H3
InChIKeyJFDALOFWGPLDLL-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.61
Rot. Bonds5

About 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran

2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran (PubChem CID 106689058) has the molecular formula C14H14BrClO2 and a molecular weight of 329.62 g/mol. Its IUPAC name is 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran
PubChem CID106689058
Molecular FormulaC14H14BrClO2
Molecular Weight329.62 g/mol
Exact Mass327.99
IUPAC Name2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran
SMILESCOCCc1ccc(C(Br)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H14BrClO2/c1-17-9-8-10-2-4-11(5-3-10)14(15)12-6-7-13(16)18-12/h2-7,14H,8-9H2,1H3
InChIKeyJFDALOFWGPLDLL-UHFFFAOYSA-N
XLogP4.61
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.61
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

2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-nitrofuran
CID 61096882
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
1-[bromo-(4-fluorophenyl)methyl]-4-(2-methoxyethyl)benzene
CID 61096683
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-3-chloro-5-methylbenzene
CID 81324802
4-bromo-1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-2-methoxybenzene
CID 115369852
(5-chlorofuran-2-yl)-(4-propylphenyl)methanol
CID 106688844
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
2-bromo-5-[bromo-(4-butylphenyl)methyl]furan
CID 63440007
4-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1-fluoro-2-methoxybenzene
CID 81289235
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1,3-difluoro-4-methylbenzene
CID 82799024
1-(1-bromo-2-propylpentyl)-4-(2-methoxyethyl)benzene
CID 82988111

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran (CID 106689058) is 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran is COCCc1ccc(C(Br)c2ccc(Cl)o2)cc1.
What is the InChIKey of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran?
The InChIKey is JFDALOFWGPLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2/c1-17-9-8-10-2-4-11(5-3-10)14(15)12-6-7-13(16)18-12/h2-7,14H,8-9H2,1H3.
What are the key properties of 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran?
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran has a molecular weight of 329.62 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-chlorofuran is sourced from PubChem (CID 106689058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).