2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene

C16H15Br2ClO2 — CID 104662297

IUPAC2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-20-7-8-21-15-6-5-12(10-14(15)17)16(18)11-3-2-4-13(19)9-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyFZAJOTNNBYGQHX-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.61
Rot. Bonds6

About 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene

2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene (PubChem CID 104662297) has the molecular formula C16H15Br2ClO2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
PubChem CID104662297
Molecular FormulaC16H15Br2ClO2
Molecular Weight434.56 g/mol
Exact Mass431.91
IUPAC Name2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)c2cccc(Cl)c2)cc1Br
InChIInChI=1S/C16H15Br2ClO2/c1-20-7-8-21-15-6-5-12(10-14(15)17)16(18)11-3-2-4-13(19)9-11/h2-6,9-10,16H,7-8H2,1H3
InChIKeyFZAJOTNNBYGQHX-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
3-[bromo-[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methylfuran
CID 104662353
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
2-bromo-4-[bromo-(3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661798
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
CID 104662326
2-bromo-4-[bromo-(5-chloro-2-fluorophenyl)methyl]-1-propoxybenzene
CID 104662049
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
2-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1-propoxybenzene
CID 107992219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene (CID 104662297) is 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene is COCCOc1ccc(C(Br)c2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene?
The InChIKey is FZAJOTNNBYGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2ClO2/c1-20-7-8-21-15-6-5-12(10-14(15)17)16(18)11-3-2-4-13(19)9-11/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene?
2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene has a molecular weight of 434.56 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 104662297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).