1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene

C14H10Br3ClO — CID 107957792

IUPAC1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-3-2-8(6-12(13)16)14(17)9-4-10(15)7-11(18)5-9/h2-7,14H,1H3
InChIKeyIVJDHMMHZFYXHJ-UHFFFAOYSA-N
MW469.40 g/mol
LogP6.36
Rot. Bonds3

About 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene

1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene (PubChem CID 107957792) has the molecular formula C14H10Br3ClO and a molecular weight of 469.40 g/mol. Its IUPAC name is 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
PubChem CID107957792
Molecular FormulaC14H10Br3ClO
Molecular Weight469.40 g/mol
Exact Mass465.80
IUPAC Name1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-3-2-8(6-12(13)16)14(17)9-4-10(15)7-11(18)5-9/h2-7,14H,1H3
InChIKeyIVJDHMMHZFYXHJ-UHFFFAOYSA-N
XLogP6.36
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 ≤ 56.36
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-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
1,3-dibromo-5-[bromo-(3,4-dimethoxyphenyl)methyl]benzene
CID 107980871
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959180
5-[bromo-(3-bromo-4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63435205
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107945621
1-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81325192

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene?
The IUPAC name of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene (CID 107957792) is 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene.
What is the SMILES notation for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene?
The canonical SMILES for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene is COc1ccc(C(Br)c2cc(Cl)cc(Br)c2)cc1Br.
What is the InChIKey of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene?
The InChIKey is IVJDHMMHZFYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO/c1-19-13-3-2-8(6-12(13)16)14(17)9-4-10(15)7-11(18)5-9/h2-7,14H,1H3.
What are the key properties of 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene?
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene has a molecular weight of 469.40 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene is sourced from PubChem (CID 107957792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).