2-[2-(3-bromophenoxy)ethoxy]dibenzofuran

C20H15BrO3 — CID 7916398

IUPAC2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
SMILESBrc1cccc(OCCOc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C20H15BrO3/c21-14-4-3-5-15(12-14)22-10-11-23-16-8-9-20-18(13-16)17-6-1-2-7-19(17)24-20/h1-9,12-13H,10-11H2
InChIKeyKLQHOJCILIBXNE-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.81
Rot. Bonds5

About 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran

2-[2-(3-bromophenoxy)ethoxy]dibenzofuran (PubChem CID 7916398) has the molecular formula C20H15BrO3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
PubChem CID7916398
Molecular FormulaC20H15BrO3
Molecular Weight383.24 g/mol
Exact Mass382.02
IUPAC Name2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
SMILESBrc1cccc(OCCOc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C20H15BrO3/c21-14-4-3-5-15(12-14)22-10-11-23-16-8-9-20-18(13-16)17-6-1-2-7-19(17)24-20/h1-9,12-13H,10-11H2
InChIKeyKLQHOJCILIBXNE-UHFFFAOYSA-N
XLogP5.81
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromohexoxy)dibenzofuran
CID 102246595
2-dibenzofuran-2-yloxy-N-ethylethanamine
CID 55152660
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
CID 157315536
CID 157315536
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-dibenzofuran-3-yloxyethanamine
CID 18615231
CID 67500547
CID 67500547
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
CID 162013945
CID 162013945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran?
The IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran (CID 7916398) is 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran is Brc1cccc(OCCOc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran?
The InChIKey is KLQHOJCILIBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO3/c21-14-4-3-5-15(12-14)22-10-11-23-16-8-9-20-18(13-16)17-6-1-2-7-19(17)24-20/h1-9,12-13H,10-11H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran?
2-[2-(3-bromophenoxy)ethoxy]dibenzofuran has a molecular weight of 383.24 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethoxy]dibenzofuran is sourced from PubChem (CID 7916398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).