(4-hydroxyphenyl) 4-carboxyoxybenzoate

C14H10O6 — CID 126668327

IUPAC(4-hydroxyphenyl) 4-carboxyoxybenzoate
SMILESO=C(O)Oc1ccc(C(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C14H10O6/c15-10-3-7-11(8-4-10)19-13(16)9-1-5-12(6-2-9)20-14(17)18/h1-8,15H,(H,17,18)
InChIKeyLTEWUAHLEGGOHX-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.67
Rot. Bonds3

About (4-hydroxyphenyl) 4-carboxyoxybenzoate

(4-hydroxyphenyl) 4-carboxyoxybenzoate (PubChem CID 126668327) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is (4-hydroxyphenyl) 4-carboxyoxybenzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 4-carboxyoxybenzoate
PubChem CID126668327
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name(4-hydroxyphenyl) 4-carboxyoxybenzoate
SMILESO=C(O)Oc1ccc(C(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C14H10O6/c15-10-3-7-11(8-4-10)19-13(16)9-1-5-12(6-2-9)20-14(17)18/h1-8,15H,(H,17,18)
InChIKeyLTEWUAHLEGGOHX-UHFFFAOYSA-N
XLogP2.67
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(4-hydroxyphenyl) 4-propoxybenzoate
CID 22925850
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 4-carboxyoxybenzoate?
The IUPAC name of (4-hydroxyphenyl) 4-carboxyoxybenzoate (CID 126668327) is (4-hydroxyphenyl) 4-carboxyoxybenzoate.
What is the SMILES notation for (4-hydroxyphenyl) 4-carboxyoxybenzoate?
The canonical SMILES for (4-hydroxyphenyl) 4-carboxyoxybenzoate is O=C(O)Oc1ccc(C(=O)Oc2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl) 4-carboxyoxybenzoate?
The InChIKey is LTEWUAHLEGGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-10-3-7-11(8-4-10)19-13(16)9-1-5-12(6-2-9)20-14(17)18/h1-8,15H,(H,17,18).
What are the key properties of (4-hydroxyphenyl) 4-carboxyoxybenzoate?
(4-hydroxyphenyl) 4-carboxyoxybenzoate has a molecular weight of 274.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 4-carboxyoxybenzoate is sourced from PubChem (CID 126668327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).