phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone

C22H16O2 — CID 27152870

IUPACphenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1OC12c1ccccc1Cc1ccccc12
InChIInChI=1S/C22H16O2/c23-20(15-8-2-1-3-9-15)21-22(24-21)18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)22/h1-13,21H,14H2/t21-/m1/s1
InChIKeyBTYXLUIJCANHHX-OAQYLSRUSA-N
MW312.37 g/mol
LogP4.12
Rot. Bonds2

About phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone

phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone (PubChem CID 27152870) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone
PubChem CID27152870
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Namephenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone
SMILESO=C(c1ccccc1)[C@H]1OC12c1ccccc1Cc1ccccc12
InChIInChI=1S/C22H16O2/c23-20(15-8-2-1-3-9-15)21-22(24-21)18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)22/h1-13,21H,14H2/t21-/m1/s1
InChIKeyBTYXLUIJCANHHX-OAQYLSRUSA-N
XLogP4.12
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S)-3-benzoyl-2-phenyloxirane-2-carboxylate
CID 132961943
diphenylmethanone;9H-thioxanthene 10-oxide
CID 66607485
oxiran-2-yl(phenyl)methanone
CID 11788375
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
CID 102024747
2,3-dihydro-1aH-naphtho[1,2-b]oxiren-7b-yl benzoate
CID 85397832
3-benzoylpyrrolidine-2,5-dione
CID 15178182
1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
CID 178078073
phenyl(spiro[2.4]heptan-2-yl)methanone
CID 146164846
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone?
The IUPAC name of phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone (CID 27152870) is phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone.
What is the SMILES notation for phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone?
The canonical SMILES for phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone is O=C(c1ccccc1)[C@H]1OC12c1ccccc1Cc1ccccc12.
What is the InChIKey of phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone?
The InChIKey is BTYXLUIJCANHHX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H16O2/c23-20(15-8-2-1-3-9-15)21-22(24-21)18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)22/h1-13,21H,14H2/t21-/m1/s1.
What are the key properties of phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone?
phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2'S)-spiro[9H-anthracene-10,3'-oxirane]-2'-yl]methanone is sourced from PubChem (CID 27152870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).