3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid

C13H14F2O4 — CID 79887618

IUPAC3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(OCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C13H14F2O4/c14-9-5-8(12(16)17)6-10(15)11(9)19-7-13(18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,16,17)
InChIKeyUTKUFKYFDRWSLY-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.35
Rot. Bonds4

About 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid

3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid (PubChem CID 79887618) has the molecular formula C13H14F2O4 and a molecular weight of 272.25 g/mol. Its IUPAC name is 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid
PubChem CID79887618
Molecular FormulaC13H14F2O4
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(F)c(OCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C13H14F2O4/c14-9-5-8(12(16)17)6-10(15)11(9)19-7-13(18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,16,17)
InChIKeyUTKUFKYFDRWSLY-UHFFFAOYSA-N
XLogP2.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid (CID 79887618) is 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid is O=C(O)c1cc(F)c(OCC2(O)CCCC2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
The InChIKey is UTKUFKYFDRWSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O4/c14-9-5-8(12(16)17)6-10(15)11(9)19-7-13(18)3-1-2-4-13/h5-6,18H,1-4,7H2,(H,16,17).
What are the key properties of 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid?
3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid has a molecular weight of 272.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(1-hydroxycyclopentyl)methoxy]benzoic acid is sourced from PubChem (CID 79887618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).