2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C23H31FO7 — CID 67714833

IUPAC2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCC(C(=O)O)c1ccc(-c2ccccc2F)cc1.OCCOCCOCCOCCO
InChIInChI=1S/C15H13FO2.C8H18O5/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10H,1H3,(H,17,18);9-10H,1-8H2
InChIKeyDERFGAYLZMPZAR-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.70
Rot. Bonds13

About 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 67714833) has the molecular formula C23H31FO7 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID67714833
Molecular FormulaC23H31FO7
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC Name2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
SMILESCC(C(=O)O)c1ccc(-c2ccccc2F)cc1.OCCOCCOCCOCCO
InChIInChI=1S/C15H13FO2.C8H18O5/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10H,1H3,(H,17,18);9-10H,1-8H2
InChIKeyDERFGAYLZMPZAR-UHFFFAOYSA-N
XLogP2.70
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 67714833) is 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is CC(C(=O)O)c1ccc(-c2ccccc2F)cc1.OCCOCCOCCOCCO.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is DERFGAYLZMPZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2.C8H18O5/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-10H,1H3,(H,17,18);9-10H,1-8H2.
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?
2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 438.49 g/mol, XLogP of 2.70, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]propanoic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 67714833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).