1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene

C15H14BrFO2 — CID 68532545

IUPAC1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene
SMILESFc1ccc(CCOCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrFO2/c16-13-2-1-3-15(10-13)19-11-18-9-8-12-4-6-14(17)7-5-12/h1-7,10H,8-9,11H2
InChIKeyCWCKDULDVUEVES-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.18
Rot. Bonds6

About 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene

1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene (PubChem CID 68532545) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene
PubChem CID68532545
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene
SMILESFc1ccc(CCOCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrFO2/c16-13-2-1-3-15(10-13)19-11-18-9-8-12-4-6-14(17)7-5-12/h1-7,10H,8-9,11H2
InChIKeyCWCKDULDVUEVES-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene (CID 68532545) is 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene is Fc1ccc(CCOCOc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene?
The InChIKey is CWCKDULDVUEVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-13-2-1-3-15(10-13)19-11-18-9-8-12-4-6-14(17)7-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene?
1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene has a molecular weight of 325.18 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(4-fluorophenyl)ethoxymethoxy]benzene is sourced from PubChem (CID 68532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).