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

C15H12Br2Cl2O — CID 107306942

IUPAC5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cc(Br)cc(CBr)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Br2Cl2O/c1-9-5-12(17)6-11(7-16)15(9)20-8-10-3-2-4-13(18)14(10)19/h2-6H,7-8H2,1H3
InChIKeyQNIDGQVWEURQRQ-UHFFFAOYSA-N
MW438.97 g/mol
LogP6.54
Rot. Bonds4

About 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene

5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene (PubChem CID 107306942) has the molecular formula C15H12Br2Cl2O and a molecular weight of 438.97 g/mol. Its IUPAC name is 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
PubChem CID107306942
Molecular FormulaC15H12Br2Cl2O
Molecular Weight438.97 g/mol
Exact Mass435.86
IUPAC Name5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cc(Br)cc(CBr)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Br2Cl2O/c1-9-5-12(17)6-11(7-16)15(9)20-8-10-3-2-4-13(18)14(10)19/h2-6H,7-8H2,1H3
InChIKeyQNIDGQVWEURQRQ-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 56.54
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-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 115962273
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301
3-[4-[(2,3-dichlorophenyl)methoxy]-2-methylphenyl]prop-2-yn-1-amine
CID 107309264
[5-bromo-2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962216
2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]acetonitrile
CID 112621327
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene (CID 107306942) is 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene is Cc1cc(Br)cc(CBr)c1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene?
The InChIKey is QNIDGQVWEURQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O/c1-9-5-12(17)6-11(7-16)15(9)20-8-10-3-2-4-13(18)14(10)19/h2-6H,7-8H2,1H3.
What are the key properties of 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene?
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene has a molecular weight of 438.97 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 107306942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).