3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione

C16H10O3 — CID 3142214

IUPAC3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccccc1
InChIInChI=1S/C16H10O3/c17-13-11-8-4-5-9-12(11)14(18)16(13)15(19-16)10-6-2-1-3-7-10/h1-9,15H
InChIKeyDXBPSHSLDUYBJI-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.58
Rot. Bonds1

About 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione

3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione (PubChem CID 3142214) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione.

Molecular Properties

Compound Name3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
PubChem CID3142214
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12OC2c1ccccc1
InChIInChI=1S/C16H10O3/c17-13-11-8-4-5-9-12(11)14(18)16(13)15(19-16)10-6-2-1-3-7-10/h1-9,15H
InChIKeyDXBPSHSLDUYBJI-UHFFFAOYSA-N
XLogP2.58
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione?
The IUPAC name of 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione (CID 3142214) is 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione.
What is the SMILES notation for 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione?
The canonical SMILES for 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione is O=C1c2ccccc2C(=O)C12OC2c1ccccc1.
What is the InChIKey of 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione?
The InChIKey is DXBPSHSLDUYBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-13-11-8-4-5-9-12(11)14(18)16(13)15(19-16)10-6-2-1-3-7-10/h1-9,15H.
What are the key properties of 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione?
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione has a molecular weight of 250.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione is sourced from PubChem (CID 3142214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).