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

C17H19FO3 — CID 2252021

IUPAC1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene
SMILESCOc1cccc(OCCCCOc2ccccc2F)c1
InChIInChI=1S/C17H19FO3/c1-19-14-7-6-8-15(13-14)20-11-4-5-12-21-17-10-3-2-9-16(17)18/h2-3,6-10,13H,4-5,11-12H2,1H3
InChIKeyJJAMLSWEOUWUMK-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.07
Rot. Bonds8

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

1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene (PubChem CID 2252021) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene.

Molecular Properties

Compound Name1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene
PubChem CID2252021
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene
SMILESCOc1cccc(OCCCCOc2ccccc2F)c1
InChIInChI=1S/C17H19FO3/c1-19-14-7-6-8-15(13-14)20-11-4-5-12-21-17-10-3-2-9-16(17)18/h2-3,6-10,13H,4-5,11-12H2,1H3
InChIKeyJJAMLSWEOUWUMK-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.07
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-2-[4-(3-methoxyphenoxy)butoxy]benzene?
The IUPAC name of 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene (CID 2252021) is 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene.
What is the SMILES notation for 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene?
The canonical SMILES for 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene is COc1cccc(OCCCCOc2ccccc2F)c1.
What is the InChIKey of 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene?
The InChIKey is JJAMLSWEOUWUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-19-14-7-6-8-15(13-14)20-11-4-5-12-21-17-10-3-2-9-16(17)18/h2-3,6-10,13H,4-5,11-12H2,1H3.
What are the key properties of 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene?
1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene has a molecular weight of 290.33 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[4-(3-methoxyphenoxy)butoxy]benzene is sourced from PubChem (CID 2252021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).