1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene

C18H21FO4 — CID 2283298

IUPAC1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
SMILESCCOc1ccccc1OCCOCCOc1ccccc1F
InChIInChI=1S/C18H21FO4/c1-2-21-17-9-5-6-10-18(17)23-14-12-20-11-13-22-16-8-4-3-7-15(16)19/h3-10H,2,11-14H2,1H3
InChIKeyAYRBEIRLYNANIU-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.70
Rot. Bonds10

About 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene

1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene (PubChem CID 2283298) has the molecular formula C18H21FO4 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
PubChem CID2283298
Molecular FormulaC18H21FO4
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
SMILESCCOc1ccccc1OCCOCCOc1ccccc1F
InChIInChI=1S/C18H21FO4/c1-2-21-17-9-5-6-10-18(17)23-14-12-20-11-13-22-16-8-4-3-7-15(16)19/h3-10H,2,11-14H2,1H3
InChIKeyAYRBEIRLYNANIU-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
CID 63663798
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene
CID 137452329
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 3850725
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene (CID 2283298) is 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene is CCOc1ccccc1OCCOCCOc1ccccc1F.
What is the InChIKey of 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene?
The InChIKey is AYRBEIRLYNANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO4/c1-2-21-17-9-5-6-10-18(17)23-14-12-20-11-13-22-16-8-4-3-7-15(16)19/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene?
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene has a molecular weight of 320.36 g/mol, XLogP of 3.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2283298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).