4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol

C27H20O8 — CID 69279827

IUPAC4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
SMILESO=C(O)c1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H10O6.C12H10O2/c16-13(17)9-1-3-11(4-2-9)15(20)21-12-7-5-10(6-8-12)14(18)19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,(H,16,17)(H,18,19);1-8,13-14H
InChIKeyGLSSZECWWOCYRF-UHFFFAOYSA-N
MW472.45 g/mol
LogP5.07
Rot. Bonds5

About 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol

4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol (PubChem CID 69279827) has the molecular formula C27H20O8 and a molecular weight of 472.45 g/mol. Its IUPAC name is 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
PubChem CID69279827
Molecular FormulaC27H20O8
Molecular Weight472.45 g/mol
Exact Mass472.12
IUPAC Name4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
SMILESO=C(O)c1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H10O6.C12H10O2/c16-13(17)9-1-3-11(4-2-9)15(20)21-12-7-5-10(6-8-12)14(18)19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,(H,16,17)(H,18,19);1-8,13-14H
InChIKeyGLSSZECWWOCYRF-UHFFFAOYSA-N
XLogP5.07
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.45
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
CID 101414949
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol?
The IUPAC name of 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol (CID 69279827) is 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol is O=C(O)c1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol?
The InChIKey is GLSSZECWWOCYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6.C12H10O2/c16-13(17)9-1-3-11(4-2-9)15(20)21-12-7-5-10(6-8-12)14(18)19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,(H,16,17)(H,18,19);1-8,13-14H.
What are the key properties of 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol?
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol has a molecular weight of 472.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 69279827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).