4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene

C15H12Br2ClIO — CID 103211002

IUPAC4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12Br2ClIO/c1-2-20-14-6-4-10(16)8-11(14)15(17)9-3-5-13(19)12(18)7-9/h3-8,15H,2H2,1H3
InChIKeyHXLJSGHFEWLQEX-UHFFFAOYSA-N
MW530.43 g/mol
LogP6.59
Rot. Bonds4

About 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene

4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene (PubChem CID 103211002) has the molecular formula C15H12Br2ClIO and a molecular weight of 530.43 g/mol. Its IUPAC name is 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
PubChem CID103211002
Molecular FormulaC15H12Br2ClIO
Molecular Weight530.43 g/mol
Exact Mass527.80
IUPAC Name4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12Br2ClIO/c1-2-20-14-6-4-10(16)8-11(14)15(17)9-3-5-13(19)12(18)7-9/h3-8,15H,2H2,1H3
InChIKeyHXLJSGHFEWLQEX-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.43
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63442832
4-[bromo-(3-chloro-4-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 103210804
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
1-bromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]-5-fluorobenzene
CID 63442914
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
N-[(3-chloro-4-iodophenyl)-(2,5-dibromophenyl)methyl]ethanamine
CID 103220094
4-bromo-2-[chloro-(4-ethoxyphenyl)methyl]-1-iodobenzene
CID 114033411
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
2-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-1-ethoxybenzene
CID 104661812

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene?
The IUPAC name of 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene (CID 103211002) is 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene is CCOc1ccc(Br)cc1C(Br)c1ccc(I)c(Cl)c1.
What is the InChIKey of 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene?
The InChIKey is HXLJSGHFEWLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClIO/c1-2-20-14-6-4-10(16)8-11(14)15(17)9-3-5-13(19)12(18)7-9/h3-8,15H,2H2,1H3.
What are the key properties of 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene?
4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene has a molecular weight of 530.43 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 103211002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).