4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene

C14H11Br2ClO — CID 113296148

IUPAC4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
SMILESCOc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Br2ClO/c1-18-13-8-10(15)4-7-12(13)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyQXJRHUHEZCLRIF-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.60
Rot. Bonds3

About 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene

4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene (PubChem CID 113296148) has the molecular formula C14H11Br2ClO and a molecular weight of 390.50 g/mol. Its IUPAC name is 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene.

Molecular Properties

Compound Name4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
PubChem CID113296148
Molecular FormulaC14H11Br2ClO
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
SMILESCOc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Br2ClO/c1-18-13-8-10(15)4-7-12(13)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3
InChIKeyQXJRHUHEZCLRIF-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.60
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-1-[bromo-(4-propan-2-ylphenyl)methyl]-2-methoxybenzene
CID 115369884
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-chloro-2-methoxybenzene
CID 63435485
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
4-bromo-1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-2-methoxybenzene
CID 115369852
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene?
The IUPAC name of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene (CID 113296148) is 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene.
What is the SMILES notation for 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene?
The canonical SMILES for 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene is COc1cc(Br)ccc1C(Br)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene?
The InChIKey is QXJRHUHEZCLRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO/c1-18-13-8-10(15)4-7-12(13)14(16)9-2-5-11(17)6-3-9/h2-8,14H,1H3.
What are the key properties of 4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene?
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene has a molecular weight of 390.50 g/mol, XLogP of 5.60, 3 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-chlorophenyl)methyl]-2-methoxybenzene is sourced from PubChem (CID 113296148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).