2-bromo-4-chloro-1-(2-chlorophenoxy)benzene

C12H7BrCl2O — CID 169336335

IUPAC2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H
InChIKeyXPNSKZLJPSEBCQ-UHFFFAOYSA-N
MW318.00 g/mol
LogP5.55
Rot. Bonds2

About 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene

2-bromo-4-chloro-1-(2-chlorophenoxy)benzene (PubChem CID 169336335) has the molecular formula C12H7BrCl2O and a molecular weight of 318.00 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
PubChem CID169336335
Molecular FormulaC12H7BrCl2O
Molecular Weight318.00 g/mol
Exact Mass315.91
IUPAC Name2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
SMILESClc1ccc(Oc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C12H7BrCl2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H
InChIKeyXPNSKZLJPSEBCQ-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.00
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-(2-bromo-4-chlorophenoxy)benzenecarbothioamide
CID 28602334
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
2-(2-bromo-4-chlorophenoxy)-6-fluoroaniline
CID 60789446
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene (CID 169336335) is 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene is Clc1ccc(Oc2ccccc2Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene?
The InChIKey is XPNSKZLJPSEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2O/c13-9-7-8(14)5-6-11(9)16-12-4-2-1-3-10(12)15/h1-7H.
What are the key properties of 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene?
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene has a molecular weight of 318.00 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(2-chlorophenoxy)benzene is sourced from PubChem (CID 169336335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).