diphenyl oxalate

C14H10O4 — CID 18475

IUPACdiphenyl oxalate
SMILESO=C(Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
InChIKeyULOZDEVJRTYKFE-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.20
Rot. Bonds2

About diphenyl oxalate

diphenyl oxalate (PubChem CID 18475) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is diphenyl oxalate.

Molecular Properties

Compound Namediphenyl oxalate
PubChem CID18475
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Namediphenyl oxalate
SMILESO=C(Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H
InChIKeyULOZDEVJRTYKFE-UHFFFAOYSA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl Ether
CID 7583
Phenyl acetate
CID 31229
Phenoxyacetic Acid
CID 19188
1,2-Diphenoxyethane
CID 7713
Diphenyl carbonate
CID 7597
Guaiacyl acetate
CID 61155
Allyl phenoxyacetate
CID 24117
Sodium 2-(4-methoxyphenoxy)propanoate
CID 23670520
Phenoxyethyl propionate
CID 31954
Phenoxyethyl acrylate
CID 39485
Catechol diacetate
CID 12479
2-Phenoxyethyl butanoate
CID 90136

Frequently Asked Questions

What is the IUPAC name of diphenyl oxalate?
The IUPAC name of diphenyl oxalate (CID 18475) is diphenyl oxalate.
What is the SMILES notation for diphenyl oxalate?
The canonical SMILES for diphenyl oxalate is O=C(Oc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl oxalate?
The InChIKey is ULOZDEVJRTYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10H.
What are the key properties of diphenyl oxalate?
diphenyl oxalate has a molecular weight of 242.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl oxalate is sourced from PubChem (CID 18475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).