diphenyl carbonate

C13H10O3 — CID 7597

IUPACdiphenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChIKeyROORDVPLFPIABK-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.26
Rot. Bonds2

About diphenyl carbonate

diphenyl carbonate (PubChem CID 7597) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is diphenyl carbonate.

Molecular Properties

Compound Namediphenyl carbonate
PubChem CID7597
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namediphenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChIKeyROORDVPLFPIABK-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl Ether
CID 7583
Phenyl acetate
CID 31229
Guaiacol Carbonate
CID 11104
Phenyl chloroformate
CID 15891
Phenyl formate
CID 74626
Phenyl propionate
CID 12497
1,2-Diazenedicarboxylic acid, 1,2-diphenyl ester
CID 5381145
Diphenyl Oxalate
CID 18475
Bis(4-chlorophenyl) carbonate
CID 346725
Di-o-tolyl carbonate
CID 69233
Di(m-cresyl) carbonate
CID 221529
Di-p-tolyl carbonate
CID 221530

Frequently Asked Questions

What is the IUPAC name of diphenyl carbonate?
The IUPAC name of diphenyl carbonate (CID 7597) is diphenyl carbonate.
What is the SMILES notation for diphenyl carbonate?
The canonical SMILES for diphenyl carbonate is O=C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl carbonate?
The InChIKey is ROORDVPLFPIABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H.
What are the key properties of diphenyl carbonate?
diphenyl carbonate has a molecular weight of 214.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl carbonate is sourced from PubChem (CID 7597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).