1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene

C15H15BrO3 — CID 55327692

IUPAC1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10H2,1H3
InChIKeyUHLQUWHSIFJAHA-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.92
Rot. Bonds6

About 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene

1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene (PubChem CID 55327692) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
PubChem CID55327692
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10H2,1H3
InChIKeyUHLQUWHSIFJAHA-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
CID 116619353
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene (CID 55327692) is 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene is COc1ccc(OCCOc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The InChIKey is UHLQUWHSIFJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-17-13-5-7-14(8-6-13)18-9-10-19-15-4-2-3-12(16)11-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene has a molecular weight of 323.19 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 55327692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).