1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene

C13H9BrCl2O — CID 134102081

IUPAC1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
SMILESClc1ccc(OCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C13H9BrCl2O/c14-13-6-3-11(16)7-9(13)8-17-12-4-1-10(15)2-5-12/h1-7H,8H2
InChIKeySTLOHIVODMEWHN-UHFFFAOYSA-N
MW332.02 g/mol
LogP5.33
Rot. Bonds3

About 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene

1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene (PubChem CID 134102081) has the molecular formula C13H9BrCl2O and a molecular weight of 332.02 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
PubChem CID134102081
Molecular FormulaC13H9BrCl2O
Molecular Weight332.02 g/mol
Exact Mass329.92
IUPAC Name1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
SMILESClc1ccc(OCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C13H9BrCl2O/c14-13-6-3-11(16)7-9(13)8-17-12-4-1-10(15)2-5-12/h1-7H,8H2
InChIKeySTLOHIVODMEWHN-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.02
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene?
The IUPAC name of 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene (CID 134102081) is 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene?
The canonical SMILES for 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene is Clc1ccc(OCc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene?
The InChIKey is STLOHIVODMEWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O/c14-13-6-3-11(16)7-9(13)8-17-12-4-1-10(15)2-5-12/h1-7H,8H2.
What are the key properties of 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene?
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene has a molecular weight of 332.02 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene is sourced from PubChem (CID 134102081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).