diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate

C20H14O6 — CID 154114345

IUPACdiphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
SMILESO=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)c(O)cc1O
InChIInChI=1S/C20H14O6/c21-17-12-18(22)16(20(24)26-14-9-5-2-6-10-14)11-15(17)19(23)25-13-7-3-1-4-8-13/h1-12,21-22H
InChIKeyRVRAPUKCTZCFRK-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.54
Rot. Bonds4

About diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate

diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate (PubChem CID 154114345) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
PubChem CID154114345
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Namediphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
SMILESO=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)c(O)cc1O
InChIInChI=1S/C20H14O6/c21-17-12-18(22)16(20(24)26-14-9-5-2-6-10-14)11-15(17)19(23)25-13-7-3-1-4-8-13/h1-12,21-22H
InChIKeyRVRAPUKCTZCFRK-UHFFFAOYSA-N
XLogP3.54
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.54
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 diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate?
The IUPAC name of diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate (CID 154114345) is diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate.
What is the SMILES notation for diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate?
The canonical SMILES for diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate is O=C(Oc1ccccc1)c1cc(C(=O)Oc2ccccc2)c(O)cc1O.
What is the InChIKey of diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate?
The InChIKey is RVRAPUKCTZCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c21-17-12-18(22)16(20(24)26-14-9-5-2-6-10-14)11-15(17)19(23)25-13-7-3-1-4-8-13/h1-12,21-22H.
What are the key properties of diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate?
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate has a molecular weight of 350.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 154114345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).