dinaphthalen-1-yl carbonate

C21H14O3 — CID 18478

IUPACdinaphthalen-1-yl carbonate
SMILESO=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C21H14O3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyZQUZPFYNEARCQO-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.57
Rot. Bonds2

About dinaphthalen-1-yl carbonate

dinaphthalen-1-yl carbonate (PubChem CID 18478) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is dinaphthalen-1-yl carbonate.

Molecular Properties

Compound Namedinaphthalen-1-yl carbonate
PubChem CID18478
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Namedinaphthalen-1-yl carbonate
SMILESO=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C21H14O3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyZQUZPFYNEARCQO-UHFFFAOYSA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dinaphthalen-1-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-yl carbonate?
The IUPAC name of dinaphthalen-1-yl carbonate (CID 18478) is dinaphthalen-1-yl carbonate.
What is the SMILES notation for dinaphthalen-1-yl carbonate?
The canonical SMILES for dinaphthalen-1-yl carbonate is O=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-yl carbonate?
The InChIKey is ZQUZPFYNEARCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of dinaphthalen-1-yl carbonate?
dinaphthalen-1-yl carbonate has a molecular weight of 314.34 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-yl carbonate is sourced from PubChem (CID 18478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).