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

C15H13BrCl2O — CID 63438789

IUPAC1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-7-11(19-2)4-5-12(9)15(16)10-3-6-13(17)14(18)8-10/h3-8,15H,1-2H3
InChIKeyHSUGDRJYXRAXFF-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.79
Rot. Bonds3

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

1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 63438789) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID63438789
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-7-11(19-2)4-5-12(9)15(16)10-3-6-13(17)14(18)8-10/h3-8,15H,1-2H3
InChIKeyHSUGDRJYXRAXFF-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.79
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-(3,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438831
1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
CID 63444752
1-[bromo-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438702
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
1-[bromo-(4-chloro-2-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438278
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 81267470
2-bromo-1-[bromo-(3-bromo-4-methylphenyl)methyl]-4-methoxybenzene
CID 81476572

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene (CID 63438789) is 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene is COc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is HSUGDRJYXRAXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-7-11(19-2)4-5-12(9)15(16)10-3-6-13(17)14(18)8-10/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 360.08 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 63438789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).