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

C20H13FO6 — CID 46830365

IUPAC[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
SMILESO=C(Oc1cccc(F)c1OC(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
InChIKeyFRSWCCBXIHFKKY-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.68
Rot. Bonds4

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

[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate (PubChem CID 46830365) has the molecular formula C20H13FO6 and a molecular weight of 368.32 g/mol. Its IUPAC name is [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
PubChem CID46830365
Molecular FormulaC20H13FO6
Molecular Weight368.32 g/mol
Exact Mass368.07
IUPAC Name[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
SMILESO=C(Oc1cccc(F)c1OC(=O)c1cccc(O)c1)c1cccc(O)c1
InChIInChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
InChIKeyFRSWCCBXIHFKKY-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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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The IUPAC name of [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate (CID 46830365) is [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate.
What is the SMILES notation for [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The canonical SMILES for [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate is O=C(Oc1cccc(F)c1OC(=O)c1cccc(O)c1)c1cccc(O)c1.
What is the InChIKey of [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
The InChIKey is FRSWCCBXIHFKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H.
What are the key properties of [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate?
[3-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 [3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate is sourced from PubChem (CID 46830365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).