spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one

C12H10O3 — CID 11816514

IUPACspiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
SMILESO=C1C=CC2(OCCO2)c2ccccc21
InChIInChI=1S/C12H10O3/c13-11-5-6-12(14-7-8-15-12)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyYADSZYQUMHIKNV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.64
Rot. Bonds

About spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one

spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one (PubChem CID 11816514) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
PubChem CID11816514
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Namespiro[1,3-dioxolane-2,4'-naphthalene]-1'-one
SMILESO=C1C=CC2(OCCO2)c2ccccc21
InChIInChI=1S/C12H10O3/c13-11-5-6-12(14-7-8-15-12)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyYADSZYQUMHIKNV-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one 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 spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one?
The IUPAC name of spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one (CID 11816514) is spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one is O=C1C=CC2(OCCO2)c2ccccc21.
What is the InChIKey of spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one?
The InChIKey is YADSZYQUMHIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-11-5-6-12(14-7-8-15-12)10-4-2-1-3-9(10)11/h1-6H,7-8H2.
What are the key properties of spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one?
spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one has a molecular weight of 202.21 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,4'-naphthalene]-1'-one is sourced from PubChem (CID 11816514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).