[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate

C26H18O8 — CID 25157965

IUPAC[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)cc(O)c3)cc2)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C26H18O8/c27-19-9-17(10-20(28)13-19)25(31)33-23-5-1-15(2-6-23)16-3-7-24(8-4-16)34-26(32)18-11-21(29)14-22(30)12-18/h1-14,27-30H
InChIKeySPJJGYDMDYLNPU-UHFFFAOYSA-N
MW458.42 g/mol
LogP4.61
Rot. Bonds5

About [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate

[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate (PubChem CID 25157965) has the molecular formula C26H18O8 and a molecular weight of 458.42 g/mol. Its IUPAC name is [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate.

Molecular Properties

Compound Name[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate
PubChem CID25157965
Molecular FormulaC26H18O8
Molecular Weight458.42 g/mol
Exact Mass458.10
IUPAC Name[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate
SMILESO=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)cc(O)c3)cc2)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C26H18O8/c27-19-9-17(10-20(28)13-19)25(31)33-23-5-1-15(2-6-23)16-3-7-24(8-4-16)34-26(32)18-11-21(29)14-22(30)12-18/h1-14,27-30H
InChIKeySPJJGYDMDYLNPU-UHFFFAOYSA-N
XLogP4.61
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-(3,5-dihydroxybenzoyl)oxy-5-(4-methylphenoxy)carbonylphenyl] 3,5-dihydroxybenzoate
CID 58912231
[4-[2-[4-[1,1-bis[4-(3,5-dihydroxybenzoyl)oxyphenyl]ethyl]phenyl]propan-2-yl]phenyl] 3,5-dihydroxybenzoate
CID 67988204
[4-(2,5-dioxopyrrol-1-yl)phenyl] 3,5-dihydroxybenzoate
CID 58252778
[4-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]phenyl] 3,5-ditert-butylbenzoate
CID 3571413
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate?
The IUPAC name of [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate (CID 25157965) is [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate.
What is the SMILES notation for [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate?
The canonical SMILES for [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate is O=C(Oc1ccc(-c2ccc(OC(=O)c3cc(O)cc(O)c3)cc2)cc1)c1cc(O)cc(O)c1.
What is the InChIKey of [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate?
The InChIKey is SPJJGYDMDYLNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O8/c27-19-9-17(10-20(28)13-19)25(31)33-23-5-1-15(2-6-23)16-3-7-24(8-4-16)34-26(32)18-11-21(29)14-22(30)12-18/h1-14,27-30H.
What are the key properties of [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate?
[4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate has a molecular weight of 458.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,5-dihydroxybenzoyl)oxyphenyl]phenyl] 3,5-dihydroxybenzoate is sourced from PubChem (CID 25157965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).