2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan

C13H11Br2ClO2 — CID 63434186

IUPAC2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
SMILESCCOc1ccc(Br)cc1C(Cl)c1ccc(Br)o1
InChIInChI=1S/C13H11Br2ClO2/c1-2-17-10-4-3-8(14)7-9(10)13(16)11-5-6-12(15)18-11/h3-7,13H,2H2,1H3
InChIKeyKATJTZKNFCBAQN-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.53
Rot. Bonds4

About 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan

2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan (PubChem CID 63434186) has the molecular formula C13H11Br2ClO2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan.

Molecular Properties

Compound Name2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
PubChem CID63434186
Molecular FormulaC13H11Br2ClO2
Molecular Weight394.49 g/mol
Exact Mass391.88
IUPAC Name2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan
SMILESCCOc1ccc(Br)cc1C(Cl)c1ccc(Br)o1
InChIInChI=1S/C13H11Br2ClO2/c1-2-17-10-4-3-8(14)7-9(10)13(16)11-5-6-12(15)18-11/h3-7,13H,2H2,1H3
InChIKeyKATJTZKNFCBAQN-UHFFFAOYSA-N
XLogP5.53
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.53
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

4-bromo-1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434442
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylfuran
CID 61082150
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698
3-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-methylthiophene
CID 79808236
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-chloro-3-fluorobenzene
CID 81461836
1-bromo-4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434564
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
4-bromo-2-(1-chloro-3,3-dimethylbutyl)-1-ethoxybenzene
CID 55200436
1-(5-bromo-2-ethoxyphenyl)-1-chloropropan-2-one
CID 131321559
2-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-3-ethylthiophene
CID 79975271

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan?
The IUPAC name of 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan (CID 63434186) is 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan.
What is the SMILES notation for 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan?
The canonical SMILES for 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan is CCOc1ccc(Br)cc1C(Cl)c1ccc(Br)o1.
What is the InChIKey of 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan?
The InChIKey is KATJTZKNFCBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClO2/c1-2-17-10-4-3-8(14)7-9(10)13(16)11-5-6-12(15)18-11/h3-7,13H,2H2,1H3.
What are the key properties of 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan?
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan has a molecular weight of 394.49 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]furan is sourced from PubChem (CID 63434186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).