1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene

C14H10Br3ClO — CID 114374882

IUPAC1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
SMILESCOc1ccc(Br)cc1C(Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-5-3-9(16)7-11(13)14(18)10-6-8(15)2-4-12(10)17/h2-7,14H,1H3
InChIKeyDZQSCOXLOPORFM-UHFFFAOYSA-N
MW469.40 g/mol
LogP6.31
Rot. Bonds3

About 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene

1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene (PubChem CID 114374882) has the molecular formula C14H10Br3ClO and a molecular weight of 469.40 g/mol. Its IUPAC name is 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
PubChem CID114374882
Molecular FormulaC14H10Br3ClO
Molecular Weight469.40 g/mol
Exact Mass465.80
IUPAC Name1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
SMILESCOc1ccc(Br)cc1C(Cl)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-5-3-9(16)7-11(13)14(18)10-6-8(15)2-4-12(10)17/h2-7,14H,1H3
InChIKeyDZQSCOXLOPORFM-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 56.31
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

1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
4-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63427826
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
2-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983422
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
1-bromo-3-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylbenzene
CID 113460980
2-[(5-bromo-2-methoxyphenyl)-chloromethyl]-5-methylfuran
CID 61082150

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene?
The IUPAC name of 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene (CID 114374882) is 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene is COc1ccc(Br)cc1C(Cl)c1cc(Br)ccc1Br.
What is the InChIKey of 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene?
The InChIKey is DZQSCOXLOPORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO/c1-19-13-5-3-9(16)7-11(13)14(18)10-6-8(15)2-4-12(10)17/h2-7,14H,1H3.
What are the key properties of 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene?
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene has a molecular weight of 469.40 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene is sourced from PubChem (CID 114374882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).