2-[2-(3-bromophenoxy)ethoxymethyl]furan

C13H13BrO3 — CID 54970802

IUPAC2-[2-(3-bromophenoxy)ethoxymethyl]furan
SMILESBrc1cccc(OCCOCc2ccco2)c1
InChIInChI=1S/C13H13BrO3/c14-11-3-1-4-12(9-11)17-8-7-15-10-13-5-2-6-16-13/h1-6,9H,7-8,10H2
InChIKeyFXRJPNQTUOZQCH-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-(3-bromophenoxy)ethoxymethyl]furan

2-[2-(3-bromophenoxy)ethoxymethyl]furan (PubChem CID 54970802) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethoxymethyl]furan.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethoxymethyl]furan
PubChem CID54970802
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name2-[2-(3-bromophenoxy)ethoxymethyl]furan
SMILESBrc1cccc(OCCOCc2ccco2)c1
InChIInChI=1S/C13H13BrO3/c14-11-3-1-4-12(9-11)17-8-7-15-10-13-5-2-6-16-13/h1-6,9H,7-8,10H2
InChIKeyFXRJPNQTUOZQCH-UHFFFAOYSA-N
XLogP3.64
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.64
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

2-[2-(3-bromophenoxy)ethylsulfanylmethyl]furan
CID 60625288
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
3-[2-(furan-2-ylmethoxy)ethoxy]benzohydrazide
CID 63587007
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
CID 55088628
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
2-[2-(2-chloroethoxy)ethoxymethyl]furan
CID 63664804
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethoxymethyl]furan?
The IUPAC name of 2-[2-(3-bromophenoxy)ethoxymethyl]furan (CID 54970802) is 2-[2-(3-bromophenoxy)ethoxymethyl]furan.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethoxymethyl]furan?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethoxymethyl]furan is Brc1cccc(OCCOCc2ccco2)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethoxymethyl]furan?
The InChIKey is FXRJPNQTUOZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c14-11-3-1-4-12(9-11)17-8-7-15-10-13-5-2-6-16-13/h1-6,9H,7-8,10H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethoxymethyl]furan?
2-[2-(3-bromophenoxy)ethoxymethyl]furan has a molecular weight of 297.15 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethoxymethyl]furan is sourced from PubChem (CID 54970802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).