benzoyl 4-benzoyloxy-2-hydroxybenzoate

C21H14O6 — CID 150466939

IUPACbenzoyl 4-benzoyloxy-2-hydroxybenzoate
SMILESO=C(OC(=O)c1ccc(OC(=O)c2ccccc2)cc1O)c1ccccc1
InChIInChI=1S/C21H14O6/c22-18-13-16(26-19(23)14-7-3-1-4-8-14)11-12-17(18)21(25)27-20(24)15-9-5-2-6-10-15/h1-13,22H
InChIKeyHQZHEFZMFXCAAD-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.61
Rot. Bonds4

About benzoyl 4-benzoyloxy-2-hydroxybenzoate

benzoyl 4-benzoyloxy-2-hydroxybenzoate (PubChem CID 150466939) has the molecular formula C21H14O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is benzoyl 4-benzoyloxy-2-hydroxybenzoate.

Molecular Properties

Compound Namebenzoyl 4-benzoyloxy-2-hydroxybenzoate
PubChem CID150466939
Molecular FormulaC21H14O6
Molecular Weight362.34 g/mol
Exact Mass362.08
IUPAC Namebenzoyl 4-benzoyloxy-2-hydroxybenzoate
SMILESO=C(OC(=O)c1ccc(OC(=O)c2ccccc2)cc1O)c1ccccc1
InChIInChI=1S/C21H14O6/c22-18-13-16(26-19(23)14-7-3-1-4-8-14)11-12-17(18)21(25)27-20(24)15-9-5-2-6-10-15/h1-13,22H
InChIKeyHQZHEFZMFXCAAD-UHFFFAOYSA-N
XLogP3.61
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
(3-methylphenyl) 4-[8-(4-benzoyl-3-hydroxyphenoxy)octoxy]benzoate
CID 175119265
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549

Frequently Asked Questions

What is the IUPAC name of benzoyl 4-benzoyloxy-2-hydroxybenzoate?
The IUPAC name of benzoyl 4-benzoyloxy-2-hydroxybenzoate (CID 150466939) is benzoyl 4-benzoyloxy-2-hydroxybenzoate.
What is the SMILES notation for benzoyl 4-benzoyloxy-2-hydroxybenzoate?
The canonical SMILES for benzoyl 4-benzoyloxy-2-hydroxybenzoate is O=C(OC(=O)c1ccc(OC(=O)c2ccccc2)cc1O)c1ccccc1.
What is the InChIKey of benzoyl 4-benzoyloxy-2-hydroxybenzoate?
The InChIKey is HQZHEFZMFXCAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O6/c22-18-13-16(26-19(23)14-7-3-1-4-8-14)11-12-17(18)21(25)27-20(24)15-9-5-2-6-10-15/h1-13,22H.
What are the key properties of benzoyl 4-benzoyloxy-2-hydroxybenzoate?
benzoyl 4-benzoyloxy-2-hydroxybenzoate has a molecular weight of 362.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl 4-benzoyloxy-2-hydroxybenzoate is sourced from PubChem (CID 150466939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).