1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene

C15H13Br2ClO2 — CID 63429476

IUPAC1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H13Br2ClO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(16)3-6-13(12)17/h3-8,15H,1-2H3
InChIKeyKFOBRVLNKGIRTF-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.56
Rot. Bonds4

About 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene

1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene (PubChem CID 63429476) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
PubChem CID63429476
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Br)ccc2Br)c(OC)c1
InChIInChI=1S/C15H13Br2ClO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(16)3-6-13(12)17/h3-8,15H,1-2H3
InChIKeyKFOBRVLNKGIRTF-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776
2-bromo-5-[chloro-(2,4-dimethoxyphenyl)methyl]furan
CID 61086394
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
1-bromo-4-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-5-fluorobenzene
CID 105399649
1-bromo-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-4-iodobenzene
CID 114026269

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene (CID 63429476) is 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2cc(Br)ccc2Br)c(OC)c1.
What is the InChIKey of 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene?
The InChIKey is KFOBRVLNKGIRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)12-7-9(16)3-6-13(12)17/h3-8,15H,1-2H3.
What are the key properties of 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene?
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene has a molecular weight of 420.53 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene is sourced from PubChem (CID 63429476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).