(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

C17H14O2 — CID 6932260

IUPAC(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccccc1
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/t16-,17-/m1/s1
InChIKeyKEGOBJMZUSOZFM-IAGOWNOFSA-N
MW250.30 g/mol
LogP3.33
Rot. Bonds1

About (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one

(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (PubChem CID 6932260) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
PubChem CID6932260
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccccc1
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/t16-,17-/m1/s1
InChIKeyKEGOBJMZUSOZFM-IAGOWNOFSA-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 (2S,3'R)-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

Related Compounds

Chalcone epoxide
CID 92219
2,3-Epoxy-2-methyl-1,4-naphthoquinone
CID 85845
4-Fluorochalcone oxide
CID 162531
4-Phenylchalcone oxide
CID 150734
2-(Methoxymethyl)anthracene-9,10-dione
CID 20645230
1a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
CID 44576050
rac-(2R,3S)-2-benzoyl-3-phenyloxirane
CID 728562
3'-(Naphthalen-1-yl)spiro[indene-2,2'-oxirane]-1,3-dione
CID 3742880
1a-phenyl-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 11736803
1,2-Diphenyl-2-phenylmethoxyethanone
CID 13806931
1a-(4-methylphenyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 90667528
(1aS,7aR)-1a-(3-methylbut-2-enyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 70691962

Frequently Asked Questions

What is the IUPAC name of (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The IUPAC name of (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one (CID 6932260) is (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one.
What is the SMILES notation for (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The canonical SMILES for (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is O=C1c2ccccc2CC[C@@]12O[C@@H]2c1ccccc1.
What is the InChIKey of (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
The InChIKey is KEGOBJMZUSOZFM-IAGOWNOFSA-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/t16-,17-/m1/s1.
What are the key properties of (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one?
(2S,3'R)-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 (2S,3'R)-3'-phenylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one is sourced from PubChem (CID 6932260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).