[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate

C17H14F2O5 — CID 19753341

IUPAC[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
SMILESO=C(OCC(O)COC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F2O5/c18-13-5-1-11(2-6-13)16(21)23-9-15(20)10-24-17(22)12-3-7-14(19)8-4-12/h1-8,15,20H,9-10H2
InChIKeyZNVBBNZPPSKXSU-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.34
Rot. Bonds6

About [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate

[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate (PubChem CID 19753341) has the molecular formula C17H14F2O5 and a molecular weight of 336.29 g/mol. Its IUPAC name is [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
PubChem CID19753341
Molecular FormulaC17H14F2O5
Molecular Weight336.29 g/mol
Exact Mass336.08
IUPAC Name[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate
SMILESO=C(OCC(O)COC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H14F2O5/c18-13-5-1-11(2-6-13)16(21)23-9-15(20)10-24-17(22)12-3-7-14(19)8-4-12/h1-8,15,20H,9-10H2
InChIKeyZNVBBNZPPSKXSU-UHFFFAOYSA-N
XLogP2.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate
CID 134969528
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
[(2R)-3-bromo-2-(4-fluorobenzoyl)oxybut-3-enyl] 4-fluorobenzoate
CID 11361901
ethane;(2-hydroxy-3-methoxypropyl) 4-aminobenzoate
CID 168916460
2-ethylhexyl 4-fluorobenzoate
CID 579252
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 4-aminobenzoate
CID 101131908
2-[2-(4-fluorobenzoyl)oxyethyldisulfanyl]ethyl 4-fluorobenzoate
CID 101240856
carbonochloridoyloxymethyl 4-fluorobenzoate
CID 86098984
4-(2,4-dihydroxybutoxycarbonyl)benzoic acid
CID 22728349
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
3-O-[2-hydroxy-3-[4-(2-hydroxybutoxycarbonyl)benzoyl]oxypropyl] 1-O-methyl 5-hydroxybenzene-1,3-dicarboxylate
CID 162506450
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate?
The IUPAC name of [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate (CID 19753341) is [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate.
What is the SMILES notation for [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate?
The canonical SMILES for [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate is O=C(OCC(O)COC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate?
The InChIKey is ZNVBBNZPPSKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O5/c18-13-5-1-11(2-6-13)16(21)23-9-15(20)10-24-17(22)12-3-7-14(19)8-4-12/h1-8,15,20H,9-10H2.
What are the key properties of [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate?
[3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate has a molecular weight of 336.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorobenzoyl)oxy-2-hydroxypropyl] 4-fluorobenzoate is sourced from PubChem (CID 19753341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).