1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene

C16H17FO3 — CID 2251757

IUPAC1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene
SMILESCOc1cccc(OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO3/c1-18-15-4-2-5-16(12-15)20-11-3-10-19-14-8-6-13(17)7-9-14/h2,4-9,12H,3,10-11H2,1H3
InChIKeyYIEUFBBALVYUAX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.68
Rot. Bonds7

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

1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene (PubChem CID 2251757) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene
PubChem CID2251757
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene
SMILESCOc1cccc(OCCCOc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO3/c1-18-15-4-2-5-16(12-15)20-11-3-10-19-14-8-6-13(17)7-9-14/h2,4-9,12H,3,10-11H2,1H3
InChIKeyYIEUFBBALVYUAX-UHFFFAOYSA-N
XLogP3.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.68
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-[3-(3-methoxyphenoxy)propoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene (CID 2251757) is 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene is COc1cccc(OCCCOc2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene?
The InChIKey is YIEUFBBALVYUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-18-15-4-2-5-16(12-15)20-11-3-10-19-14-8-6-13(17)7-9-14/h2,4-9,12H,3,10-11H2,1H3.
What are the key properties of 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene?
1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene has a molecular weight of 276.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-(3-methoxyphenoxy)propoxy]benzene is sourced from PubChem (CID 2251757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).