1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene

C17H18BrClO2 — CID 63432395

IUPAC1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C17H18BrClO2/c1-10-5-6-12(11(2)7-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17H,1-4H3
InChIKeyCEJHVHDXOXDTIU-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.41
Rot. Bonds4

About 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene

1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 63432395) has the molecular formula C17H18BrClO2 and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
PubChem CID63432395
Molecular FormulaC17H18BrClO2
Molecular Weight369.69 g/mol
Exact Mass368.02
IUPAC Name1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C17H18BrClO2/c1-10-5-6-12(11(2)7-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17H,1-4H3
InChIKeyCEJHVHDXOXDTIU-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.41
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-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
6-bromo-7-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433203
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-[(2-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435216
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
1,4-dibromo-2-[chloro-(4-chloro-2-methoxyphenyl)methyl]-5-methylbenzene
CID 81473241

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene (CID 63432395) is 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Cl)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is CEJHVHDXOXDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClO2/c1-10-5-6-12(11(2)7-10)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9,17H,1-4H3.
What are the key properties of 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene?
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 369.69 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).