1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene

C15H13BrCl2O — CID 112614167

IUPAC1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(CBr)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3
InChIKeyGGIQNLGKVIAIEE-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.78
Rot. Bonds4

About 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene

1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene (PubChem CID 112614167) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
PubChem CID112614167
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cccc(CBr)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3
InChIKeyGGIQNLGKVIAIEE-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

1-(bromomethyl)-2-[(4-chloro-2-fluorophenyl)methoxy]-3-methylbenzene
CID 114850389
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]-3-chlorobenzonitrile
CID 102668801
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
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
1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene (CID 112614167) is 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene is Cc1cccc(CBr)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The InChIKey is GGIQNLGKVIAIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-10-4-2-5-11(8-16)15(10)19-9-12-13(17)6-3-7-14(12)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-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 1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 112614167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).