3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

C17H14O2 — CID 2777367

IUPAC3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CCC12OC2c1ccccc1
InChIInChI=1S/C17H14O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h1-9,16H,10-11H2
InChIKeyKEGOBJMZUSOZFM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.33
Rot. Bonds1

About 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (PubChem CID 2777367) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
PubChem CID2777367
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CCC12OC2c1ccccc1
InChIInChI=1S/C17H14O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h1-9,16H,10-11H2
InChIKeyKEGOBJMZUSOZFM-UHFFFAOYSA-N
XLogP3.33
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-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 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The IUPAC name of 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (CID 2777367) is 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.
What is the SMILES notation for 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The canonical SMILES for 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is O=C1c2ccccc2CCC12OC2c1ccccc1.
What is the InChIKey of 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The InChIKey is KEGOBJMZUSOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-15-14-9-5-4-6-12(14)10-11-17(15)16(19-17)13-7-2-1-3-8-13/h1-9,16H,10-11H2.
What are the key properties of 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one has a molecular weight of 250.30 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is sourced from PubChem (CID 2777367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).