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

C15H13BrCl2O — CID 63535589

IUPAC2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O/c1-10-2-5-15(12(6-10)8-16)19-9-11-3-4-13(17)14(18)7-11/h2-7H,8-9H2,1H3
InChIKeyCCRABBHBMKMHIJ-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.78
Rot. Bonds4

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

2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene (PubChem CID 63535589) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
PubChem CID63535589
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(CBr)c1
InChIInChI=1S/C15H13BrCl2O/c1-10-2-5-15(12(6-10)8-16)19-9-11-3-4-13(17)14(18)7-11/h2-7H,8-9H2,1H3
InChIKeyCCRABBHBMKMHIJ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.78
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

2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methoxy]-4-methylbenzene
CID 103038481
2-(bromomethyl)-4-methyl-1-[(4-propan-2-ylphenyl)methoxy]benzene
CID 63535406
1-[[2-(bromomethyl)-4-methylphenoxy]methyl]-3,5-dimethylbenzene
CID 63536416
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
4-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-chloro-1,3-dimethylpyrazole
CID 113470023
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 107879464
2-[(3,4-dichlorophenyl)methoxy]-7-methylnaphthalene
CID 90146696
2-bromo-4-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]benzene
CID 63534722
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene (CID 63535589) is 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene is Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(CBr)c1.
What is the InChIKey of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene?
The InChIKey is CCRABBHBMKMHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-10-2-5-15(12(6-10)8-16)19-9-11-3-4-13(17)14(18)7-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene?
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene has a molecular weight of 360.08 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 63535589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).