4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene

C16H16BrClO2 — CID 63439339

IUPAC4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16BrClO2/c1-10-4-5-11(8-13(10)18)16(17)12-6-7-14(19-2)15(9-12)20-3/h4-9,16H,1-3H3
InChIKeyCFBGRNKFNUAKQC-UHFFFAOYSA-N
MW355.66 g/mol
LogP5.15
Rot. Bonds4

About 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene

4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene (PubChem CID 63439339) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
PubChem CID63439339
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16BrClO2/c1-10-4-5-11(8-13(10)18)16(17)12-6-7-14(19-2)15(9-12)20-3/h4-9,16H,1-3H3
InChIKeyCFBGRNKFNUAKQC-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.66
LogP ≤ 55.15
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

4-[bromo-(3-chloro-4-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 103210804
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447907
2-[bromo-(3,4-dimethoxyphenyl)methyl]-4-chloro-1-methylbenzene
CID 82890864
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
CID 63439421
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
1,3-dibromo-5-[bromo-(3,4-dimethoxyphenyl)methyl]benzene
CID 107980871
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
4-[bromo-(3,4-difluorophenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439681

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene (CID 63439339) is 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene is COc1ccc(C(Br)c2ccc(C)c(Cl)c2)cc1OC.
What is the InChIKey of 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene?
The InChIKey is CFBGRNKFNUAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-10-4-5-11(8-13(10)18)16(17)12-6-7-14(19-2)15(9-12)20-3/h4-9,16H,1-3H3.
What are the key properties of 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene?
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene has a molecular weight of 355.66 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 63439339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).