1,3-dioxol-2-one;1H-phenalene

C16H12O3 — CID 175175207

IUPAC1,3-dioxol-2-one;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.O=c1occo1
InChIInChI=1S/C13H10.C3H2O3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;4-3-5-1-2-6-3/h1-8H,9H2;1-2H
InChIKeyMNBIOMHPNDXDSS-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.64
Rot. Bonds

About 1,3-dioxol-2-one;1H-phenalene

1,3-dioxol-2-one;1H-phenalene (PubChem CID 175175207) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,3-dioxol-2-one;1H-phenalene.

Molecular Properties

Compound Name1,3-dioxol-2-one;1H-phenalene
PubChem CID175175207
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name1,3-dioxol-2-one;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.O=c1occo1
InChIInChI=1S/C13H10.C3H2O3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;4-3-5-1-2-6-3/h1-8H,9H2;1-2H
InChIKeyMNBIOMHPNDXDSS-UHFFFAOYSA-N
XLogP3.64
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dioxol-2-one;1H-phenalene 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 1,3-dioxol-2-one;1H-phenalene?
The IUPAC name of 1,3-dioxol-2-one;1H-phenalene (CID 175175207) is 1,3-dioxol-2-one;1H-phenalene.
What is the SMILES notation for 1,3-dioxol-2-one;1H-phenalene?
The canonical SMILES for 1,3-dioxol-2-one;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;1H-phenalene?
The InChIKey is MNBIOMHPNDXDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C3H2O3/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;4-3-5-1-2-6-3/h1-8H,9H2;1-2H.
What are the key properties of 1,3-dioxol-2-one;1H-phenalene?
1,3-dioxol-2-one;1H-phenalene has a molecular weight of 252.27 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-one;1H-phenalene is sourced from PubChem (CID 175175207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).