4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene

C15H13Br2ClO — CID 63437055

IUPAC4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
SMILESCCOc1ccc(C(Br)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H13Br2ClO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyJGLOGDNLFGHAIL-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.99
Rot. Bonds4

About 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene

4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene (PubChem CID 63437055) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
PubChem CID63437055
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
SMILESCCOc1ccc(C(Br)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H13Br2ClO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3
InChIKeyJGLOGDNLFGHAIL-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.99
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

(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-fluorobenzene
CID 55200086
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
2,5-dibromo-3-[bromo-(4-ethoxyphenyl)methyl]thiophene
CID 63442944
2-bromo-1-[bromo-(3-chloro-4-fluorophenyl)methyl]-4-ethoxybenzene
CID 82879565
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
1-[bromo-(4-ethoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324561
4-bromo-2-[chloro-(4-ethoxyphenyl)methyl]-1-iodobenzene
CID 114033411
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene (CID 63437055) is 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene is CCOc1ccc(C(Br)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene?
The InChIKey is JGLOGDNLFGHAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-2-19-12-6-3-10(4-7-12)15(17)13-8-5-11(16)9-14(13)18/h3-9,15H,2H2,1H3.
What are the key properties of 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene?
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene has a molecular weight of 404.53 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene is sourced from PubChem (CID 63437055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).