1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene

C15H12BrCl2FO2 — CID 102856415

IUPAC1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CBr)c1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H12BrCl2FO2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3
InChIKeyVJLKUNQHDILFFQ-UHFFFAOYSA-N
MW394.07 g/mol
LogP5.61
Rot. Bonds5

About 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene

1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene (PubChem CID 102856415) has the molecular formula C15H12BrCl2FO2 and a molecular weight of 394.07 g/mol. Its IUPAC name is 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
PubChem CID102856415
Molecular FormulaC15H12BrCl2FO2
Molecular Weight394.07 g/mol
Exact Mass391.94
IUPAC Name1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CBr)c1OCc1cccc(Cl)c1F
InChIInChI=1S/C15H12BrCl2FO2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3
InChIKeyVJLKUNQHDILFFQ-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methoxybenzene
CID 43659017
1-bromo-3-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methoxy]benzene
CID 63536729
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392
5-(bromomethyl)-1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxybenzene
CID 43324504
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
3,5-dichloro-4-[(3-chloro-2-fluorophenyl)methoxy]aniline
CID 102855336
1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-methyl-1,2,4-triazole
CID 113438882

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene (CID 102856415) is 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene is COc1cc(Cl)cc(CBr)c1OCc1cccc(Cl)c1F.
What is the InChIKey of 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene?
The InChIKey is VJLKUNQHDILFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2FO2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3.
What are the key properties of 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene?
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene has a molecular weight of 394.07 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 102856415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).