[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

C19H13FO4 — CID 2558914

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1
InChIInChI=1S/C19H13FO4/c20-14-8-5-13(6-9-14)17(21)11-24-19(23)16-10-7-12-3-1-2-4-15(12)18(16)22/h1-10,22H,11H2
InChIKeyOGDSUGBBUFUJBD-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.72
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate (PubChem CID 2558914) has the molecular formula C19H13FO4 and a molecular weight of 324.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
PubChem CID2558914
Molecular FormulaC19H13FO4
Molecular Weight324.31 g/mol
Exact Mass324.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1
InChIInChI=1S/C19H13FO4/c20-14-8-5-13(6-9-14)17(21)11-24-19(23)16-10-7-12-3-1-2-4-15(12)18(16)22/h1-10,22H,11H2
InChIKeyOGDSUGBBUFUJBD-UHFFFAOYSA-N
XLogP3.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 957131
[2-(3,4-dimethylphenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 956948
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890937
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
(3,3-dimethyl-2-oxobutyl) 1-hydroxynaphthalene-2-carboxylate
CID 958586
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
(4-hydroxyphenyl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 163643445
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 46624622
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate (CID 2558914) is [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
The InChIKey is OGDSUGBBUFUJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO4/c20-14-8-5-13(6-9-14)17(21)11-24-19(23)16-10-7-12-3-1-2-4-15(12)18(16)22/h1-10,22H,11H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate has a molecular weight of 324.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2558914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).