2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid

C23H25FO4 — CID 130365587

IUPAC2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2)C1
InChIInChI=1S/C23H25FO4/c24-22-10-9-19(28-18-3-1-2-4-18)13-21(22)16-7-5-15(6-8-16)17-11-20(12-17)27-14-23(25)26/h5-10,13,17-18,20H,1-4,11-12,14H2,(H,25,26)
InChIKeyAHPFYIRYWNCRCQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.16
Rot. Bonds7

About 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365587) has the molecular formula C23H25FO4 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365587
Molecular FormulaC23H25FO4
Molecular Weight384.45 g/mol
Exact Mass384.17
IUPAC Name2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2)C1
InChIInChI=1S/C23H25FO4/c24-22-10-9-19(28-18-3-1-2-4-18)13-21(22)16-7-5-15(6-8-16)17-11-20(12-17)27-14-23(25)26/h5-10,13,17-18,20H,1-4,11-12,14H2,(H,25,26)
InChIKeyAHPFYIRYWNCRCQ-UHFFFAOYSA-N
XLogP5.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid (CID 130365587) is 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid is O=C(O)COC1CC(c2ccc(-c3cc(OC4CCCC4)ccc3F)cc2)C1.
What is the InChIKey of 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is AHPFYIRYWNCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO4/c24-22-10-9-19(28-18-3-1-2-4-18)13-21(22)16-7-5-15(6-8-16)17-11-20(12-17)27-14-23(25)26/h5-10,13,17-18,20H,1-4,11-12,14H2,(H,25,26).
What are the key properties of 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 384.45 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-cyclopentyloxy-2-fluorophenyl)phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).