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

C15H15FO3 — CID 3452108

IUPAC1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene
SMILESCOc1cccc(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FO3/c1-17-14-3-2-4-15(11-14)19-10-9-18-13-7-5-12(16)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyYRUKZZHJRSEDKZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.29
Rot. Bonds6

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

1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene (PubChem CID 3452108) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene
PubChem CID3452108
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene
SMILESCOc1cccc(OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C15H15FO3/c1-17-14-3-2-4-15(11-14)19-10-9-18-13-7-5-12(16)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyYRUKZZHJRSEDKZ-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene?
The IUPAC name of 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene (CID 3452108) is 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene is COc1cccc(OCCOc2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene?
The InChIKey is YRUKZZHJRSEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-17-14-3-2-4-15(11-14)19-10-9-18-13-7-5-12(16)6-8-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene?
1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene has a molecular weight of 262.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(3-methoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 3452108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).