[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate

C20H13FO6 — CID 46884130

IUPAC[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
SMILESO=C(Oc1ccc(F)cc1OC(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H13FO6/c21-14-7-8-17(26-19(24)12-3-1-5-15(22)9-12)18(11-14)27-20(25)13-4-2-6-16(23)10-13/h1-11,22-23H
InChIKeyQFLSKKMXYFXRRU-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.68
Rot. Bonds4

About [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate

[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate (PubChem CID 46884130) has the molecular formula C20H13FO6 and a molecular weight of 368.32 g/mol. Its IUPAC name is [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
PubChem CID46884130
Molecular FormulaC20H13FO6
Molecular Weight368.32 g/mol
Exact Mass368.07
IUPAC Name[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
SMILESO=C(Oc1ccc(F)cc1OC(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H13FO6/c21-14-7-8-17(26-19(24)12-3-1-5-15(22)9-12)18(11-14)27-20(25)13-4-2-6-16(23)10-13/h1-11,22-23H
InChIKeyQFLSKKMXYFXRRU-UHFFFAOYSA-N
XLogP3.68
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl) 3-hydroxybenzoate
CID 174105662
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
CID 105489015
[2-[2-(3-fluorobenzoyl)phenoxy]phenyl]-(3-hydroxyphenyl)methanone
CID 139890668
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
methyl 3-(3-fluorobenzoyl)oxynaphthalene-2-carboxylate
CID 8911360
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
difluoromethyl 3-hydroxybenzenecarboperoxoate
CID 118471744
3-O-(2-bromo-4-fluorophenyl) 1-O-(2-methylpropyl) benzene-1,3-dicarboxylate
CID 91733577

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The IUPAC name of [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate (CID 46884130) is [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate.
What is the SMILES notation for [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The canonical SMILES for [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate is O=C(Oc1ccc(F)cc1OC(=O)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The InChIKey is QFLSKKMXYFXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO6/c21-14-7-8-17(26-19(24)12-3-1-5-15(22)9-12)18(11-14)27-20(25)13-4-2-6-16(23)10-13/h1-11,22-23H.
What are the key properties of [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate has a molecular weight of 368.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate is sourced from PubChem (CID 46884130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).