1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene

C14H11BrCl2O2 — CID 65326523

IUPAC1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H11BrCl2O2/c1-18-10-5-6-11(15)9(7-10)8-19-13-4-2-3-12(16)14(13)17/h2-7H,8H2,1H3
InChIKeyRIQVYWYLCKRBOO-UHFFFAOYSA-N
MW362.05 g/mol
LogP5.34
Rot. Bonds4

About 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene

1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene (PubChem CID 65326523) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
PubChem CID65326523
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(Br)c(COc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H11BrCl2O2/c1-18-10-5-6-11(15)9(7-10)8-19-13-4-2-3-12(16)14(13)17/h2-7H,8H2,1H3
InChIKeyRIQVYWYLCKRBOO-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-chloroaniline
CID 65322559
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
1-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxybenzene
CID 102983162
(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323216
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-chlorobenzenecarbothioamide
CID 65322766
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
2-[(2-bromo-5-methoxyphenyl)methoxy]-5-fluoroaniline
CID 65322510
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene (CID 65326523) is 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene is COc1ccc(Br)c(COc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene?
The InChIKey is RIQVYWYLCKRBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c1-18-10-5-6-11(15)9(7-10)8-19-13-4-2-3-12(16)14(13)17/h2-7H,8H2,1H3.
What are the key properties of 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene?
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene has a molecular weight of 362.05 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene is sourced from PubChem (CID 65326523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).