1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene

C16H17BrO3 — CID 2288878

IUPAC1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
SMILESCCOc1ccc(OCCOc2ccccc2Br)cc1
InChIInChI=1S/C16H17BrO3/c1-2-18-13-7-9-14(10-8-13)19-11-12-20-16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3
InChIKeyNREAQEVHLHDUMX-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.31
Rot. Bonds7

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

1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene (PubChem CID 2288878) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
PubChem CID2288878
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene
SMILESCCOc1ccc(OCCOc2ccccc2Br)cc1
InChIInChI=1S/C16H17BrO3/c1-2-18-13-7-9-14(10-8-13)19-11-12-20-16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3
InChIKeyNREAQEVHLHDUMX-UHFFFAOYSA-N
XLogP4.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.31
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-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
1-bromo-2-(butoxymethoxy)benzene
CID 15093582
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2283150
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
3-(2-bromophenoxy)propyl-triethoxysilane
CID 23271728
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene?
The IUPAC name of 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene (CID 2288878) is 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene is CCOc1ccc(OCCOc2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene?
The InChIKey is NREAQEVHLHDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-2-18-13-7-9-14(10-8-13)19-11-12-20-16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene?
1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene has a molecular weight of 337.21 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(4-ethoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 2288878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).