3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione

C19H14O3 — CID 101184968

IUPAC3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione
SMILESO=C1Cc2ccccc2C(=O)C12C(=O)CC2c1ccccc1
InChIInChI=1S/C19H14O3/c20-16-10-13-8-4-5-9-14(13)18(22)19(16)15(11-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyPWVSFPHKOFKIAD-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.74
Rot. Bonds1

About 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione

3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione (PubChem CID 101184968) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione.

Molecular Properties

Compound Name3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione
PubChem CID101184968
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione
SMILESO=C1Cc2ccccc2C(=O)C12C(=O)CC2c1ccccc1
InChIInChI=1S/C19H14O3/c20-16-10-13-8-4-5-9-14(13)18(22)19(16)15(11-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyPWVSFPHKOFKIAD-UHFFFAOYSA-N
XLogP2.74
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione 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 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione?
The IUPAC name of 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione (CID 101184968) is 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione.
What is the SMILES notation for 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione?
The canonical SMILES for 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione is O=C1Cc2ccccc2C(=O)C12C(=O)CC2c1ccccc1.
What is the InChIKey of 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione?
The InChIKey is PWVSFPHKOFKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-16-10-13-8-4-5-9-14(13)18(22)19(16)15(11-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione?
3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione has a molecular weight of 290.32 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[4H-naphthalene-2,2'-cyclobutane]-1,1',3-trione is sourced from PubChem (CID 101184968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).