5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene

C16H15BrCl2O — CID 83068733

IUPAC5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Br)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C16H15BrCl2O/c1-9-6-11(7-10(2)16(9)20-3)15(17)13-5-4-12(18)8-14(13)19/h4-8,15H,1-3H3
InChIKeyRSIJLNIXSZTXGQ-UHFFFAOYSA-N
MW374.11 g/mol
LogP6.10
Rot. Bonds3

About 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene

5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene (PubChem CID 83068733) has the molecular formula C16H15BrCl2O and a molecular weight of 374.11 g/mol. Its IUPAC name is 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
PubChem CID83068733
Molecular FormulaC16H15BrCl2O
Molecular Weight374.11 g/mol
Exact Mass371.97
IUPAC Name5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
SMILESCOc1c(C)cc(C(Br)c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C16H15BrCl2O/c1-9-6-11(7-10(2)16(9)20-3)15(17)13-5-4-12(18)8-14(13)19/h4-8,15H,1-3H3
InChIKeyRSIJLNIXSZTXGQ-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.11
LogP ≤ 56.10
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-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
CID 63444213
1-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 83046737
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068657
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 83048005
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-2-methylfuran
CID 83068075

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The IUPAC name of 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene (CID 83068733) is 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene.
What is the SMILES notation for 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The canonical SMILES for 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene is COc1c(C)cc(C(Br)c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
The InChIKey is RSIJLNIXSZTXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O/c1-9-6-11(7-10(2)16(9)20-3)15(17)13-5-4-12(18)8-14(13)19/h4-8,15H,1-3H3.
What are the key properties of 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene?
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene has a molecular weight of 374.11 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene is sourced from PubChem (CID 83068733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).