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

C14H12BrClO — CID 90971991

IUPAC1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClO/c1-2-10-5-3-4-6-13(10)17-14-9-11(16)7-8-12(14)15/h3-9H,2H2,1H3
InChIKeyVUODZBIWOPRUIU-UHFFFAOYSA-N
MW311.61 g/mol
LogP5.46
Rot. Bonds3

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

1-bromo-4-chloro-2-(2-ethylphenoxy)benzene (PubChem CID 90971991) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
PubChem CID90971991
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-bromo-4-chloro-2-(2-ethylphenoxy)benzene
SMILESCCc1ccccc1Oc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClO/c1-2-10-5-3-4-6-13(10)17-14-9-11(16)7-8-12(14)15/h3-9H,2H2,1H3
InChIKeyVUODZBIWOPRUIU-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
CID 43365212
N-[2-(2-bromo-5-chlorophenoxy)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 134869768
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623
N-[[2-(2,5-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282683
(1S)-1-[2-(2-bromo-4-chlorophenoxy)phenyl]propan-1-ol
CID 103960517
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene?
The IUPAC name of 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene (CID 90971991) is 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene.
What is the SMILES notation for 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene?
The canonical SMILES for 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene is CCc1ccccc1Oc1cc(Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene?
The InChIKey is VUODZBIWOPRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-2-10-5-3-4-6-13(10)17-14-9-11(16)7-8-12(14)15/h3-9H,2H2,1H3.
What are the key properties of 1-bromo-4-chloro-2-(2-ethylphenoxy)benzene?
1-bromo-4-chloro-2-(2-ethylphenoxy)benzene has a molecular weight of 311.61 g/mol, XLogP of 5.46, 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-(2-ethylphenoxy)benzene is sourced from PubChem (CID 90971991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).