4-(4-fluorophenoxy)benzoate

C13H8FO3- — CID 7009390

IUPAC4-(4-fluorophenoxy)benzoate
SMILESO=C([O-])c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)/p-1
InChIKeyYYKALFXKRWCSLY-UHFFFAOYSA-M
MW231.20 g/mol
LogP1.98
Rot. Bonds3

About 4-(4-fluorophenoxy)benzoate

4-(4-fluorophenoxy)benzoate (PubChem CID 7009390) has the molecular formula C13H8FO3- and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)benzoate.

Molecular Properties

Compound Name4-(4-fluorophenoxy)benzoate
PubChem CID7009390
Molecular FormulaC13H8FO3-
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name4-(4-fluorophenoxy)benzoate
SMILESO=C([O-])c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)/p-1
InChIKeyYYKALFXKRWCSLY-UHFFFAOYSA-M
XLogP1.98
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

copper bis(4-fluorobenzoate)
CID 70452334
4-(4-fluorophenoxy)benzamide
CID 22142233
copper;bis(ethane-1,2-diamine);bis(4-fluorobenzoate);dihydrate
CID 139066859
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
4-fluorobenzoate;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium
CID 161388357
3-[4-(4-fluorophenoxy)phenyl]-3-oxopropanamide
CID 166949255
4-(2-methylphenoxy)benzoate
CID 7010211
terephthalate;vanadium(4+)
CID 157213578
dilithium;terephthalate
CID 14361651
dipotassium;terephthalate
CID 25981
4-(4-fluorophenoxy)benzoic acid;pyridine
CID 139933963

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)benzoate?
The IUPAC name of 4-(4-fluorophenoxy)benzoate (CID 7009390) is 4-(4-fluorophenoxy)benzoate.
What is the SMILES notation for 4-(4-fluorophenoxy)benzoate?
The canonical SMILES for 4-(4-fluorophenoxy)benzoate is O=C([O-])c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)benzoate?
The InChIKey is YYKALFXKRWCSLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)/p-1.
What are the key properties of 4-(4-fluorophenoxy)benzoate?
4-(4-fluorophenoxy)benzoate has a molecular weight of 231.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)benzoate is sourced from PubChem (CID 7009390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).