4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene

C14H11BrCl2O2 — CID 60626996

IUPAC4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
SMILESClc1ccc(OCCOc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c15-10-2-1-3-11(8-10)18-6-7-19-12-4-5-13(16)14(17)9-12/h1-5,8-9H,6-7H2
InChIKeyPWUAEKBFNSIYKN-UHFFFAOYSA-N
MW362.05 g/mol
LogP5.21
Rot. Bonds5

About 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene

4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene (PubChem CID 60626996) has the molecular formula C14H11BrCl2O2 and a molecular weight of 362.05 g/mol. Its IUPAC name is 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
PubChem CID60626996
Molecular FormulaC14H11BrCl2O2
Molecular Weight362.05 g/mol
Exact Mass359.93
IUPAC Name4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
SMILESClc1ccc(OCCOc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl2O2/c15-10-2-1-3-11(8-10)18-6-7-19-12-4-5-13(16)14(17)9-12/h1-5,8-9H,6-7H2
InChIKeyPWUAEKBFNSIYKN-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.05
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
CID 107498125
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
[4-[2-(3,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 60999813
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene?
The IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene (CID 60626996) is 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene?
The canonical SMILES for 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene is Clc1ccc(OCCOc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene?
The InChIKey is PWUAEKBFNSIYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O2/c15-10-2-1-3-11(8-10)18-6-7-19-12-4-5-13(16)14(17)9-12/h1-5,8-9H,6-7H2.
What are the key properties of 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene?
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene has a molecular weight of 362.05 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene is sourced from PubChem (CID 60626996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).