diphenyl benzene-1,2-dicarboxylate

C20H14O4 — CID 6778

IUPACdiphenyl benzene-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
InChIKeyDWNAQMUDCDVSLT-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.12
Rot. Bonds4

About diphenyl benzene-1,2-dicarboxylate

diphenyl benzene-1,2-dicarboxylate (PubChem CID 6778) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is diphenyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediphenyl benzene-1,2-dicarboxylate
PubChem CID6778
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Namediphenyl benzene-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
InChIKeyDWNAQMUDCDVSLT-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Phenoxybenzoic acid
CID 19539
Phenyl benzoate
CID 7169
1,3-Bis(benzoyloxy)benzene
CID 66742
Diphenyl isophthalate
CID 69779
p-Cresol benzoate
CID 11962
2-(Phenoxymethyl)benzoic acid
CID 69761
2-Naphthyl benzoate
CID 66734
6H-dibenzo(b,d)pyran-6-one
CID 16173
p-Hydroxyphenyl benzoate
CID 75549
Dibenzyl phthalate
CID 220773
4,4'-Bis(trimethylacetoxy)benzophenone
CID 5113707
3-Phenylcoumarin
CID 70385

Frequently Asked Questions

What is the IUPAC name of diphenyl benzene-1,2-dicarboxylate?
The IUPAC name of diphenyl benzene-1,2-dicarboxylate (CID 6778) is diphenyl benzene-1,2-dicarboxylate.
What is the SMILES notation for diphenyl benzene-1,2-dicarboxylate?
The canonical SMILES for diphenyl benzene-1,2-dicarboxylate is O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl benzene-1,2-dicarboxylate?
The InChIKey is DWNAQMUDCDVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H.
What are the key properties of diphenyl benzene-1,2-dicarboxylate?
diphenyl benzene-1,2-dicarboxylate has a molecular weight of 318.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 6778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).