1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene

C15H13BrCl2O — CID 55199898

IUPAC1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
SMILESCCOc1ccc(C(Br)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13BrCl2O/c1-2-19-14-5-3-10(4-6-14)15(16)11-7-12(17)9-13(18)8-11/h3-9,15H,2H2,1H3
InChIKeyLUZCZMUJJLVBKI-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.88
Rot. Bonds4

About 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene

1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene (PubChem CID 55199898) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
PubChem CID55199898
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
SMILESCCOc1ccc(C(Br)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13BrCl2O/c1-2-19-14-5-3-10(4-6-14)15(16)11-7-12(17)9-13(18)8-11/h3-9,15H,2H2,1H3
InChIKeyLUZCZMUJJLVBKI-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(4-ethoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324561
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
1-[bromo-(4-ethoxyphenyl)methyl]-4-methylsulfanylbenzene
CID 79217159
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
1-[bromo-(4-ethoxyphenyl)methyl]-3-iodobenzene
CID 63437226
4-[bromo-(4-ethoxyphenyl)methyl]-2-fluoro-1-methylbenzene
CID 63437544
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402
3-[bromo-(4-ethoxyphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63442220
4-[bromo-(4-ethoxyphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63437396
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
2-[bromo-(4-ethoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106880050

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene?
The IUPAC name of 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene (CID 55199898) is 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene?
The canonical SMILES for 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene is CCOc1ccc(C(Br)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene?
The InChIKey is LUZCZMUJJLVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-2-19-14-5-3-10(4-6-14)15(16)11-7-12(17)9-13(18)8-11/h3-9,15H,2H2,1H3.
What are the key properties of 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene?
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene has a molecular weight of 360.08 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene is sourced from PubChem (CID 55199898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).