[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone

C24H18O4 — CID 135504692

IUPAC[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18O4/c25-19(15-7-3-1-4-8-15)23-21(27-23)17-11-13-18(14-12-17)22-24(28-22)20(26)16-9-5-2-6-10-16/h1-14,21-24H/t21-,22+,23-,24-/m1/s1
InChIKeyLSPQXJQSYLGKQO-UEQSERJNSA-N
MW370.40 g/mol
LogP4.33
Rot. Bonds6

About [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone

[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone (PubChem CID 135504692) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
PubChem CID135504692
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H18O4/c25-19(15-7-3-1-4-8-15)23-21(27-23)17-11-13-18(14-12-17)22-24(28-22)20(26)16-9-5-2-6-10-16/h1-14,21-24H/t21-,22+,23-,24-/m1/s1
InChIKeyLSPQXJQSYLGKQO-UEQSERJNSA-N
XLogP4.33
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-phenylmethanone
CID 11483498
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
phenyl-[(2S,3R)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanone
CID 16753146
(4-bromophenyl)-(3-phenyloxiran-2-yl)methanone
CID 12665544
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564
(4-methylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 159142458
[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
CID 10766739
phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
CID 67914032
naphthalen-2-yl-[(2R,3S)-3-phenyloxiran-2-yl]methanone
CID 10355976
[(2R,3R)-3-(furan-2-yl)oxiran-2-yl]-phenylmethanone
CID 23268375

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone?
The IUPAC name of [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone (CID 135504692) is [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone?
The canonical SMILES for [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone?
The InChIKey is LSPQXJQSYLGKQO-UEQSERJNSA-N. The full InChI is InChI=1S/C24H18O4/c25-19(15-7-3-1-4-8-15)23-21(27-23)17-11-13-18(14-12-17)22-24(28-22)20(26)16-9-5-2-6-10-16/h1-14,21-24H/t21-,22+,23-,24-/m1/s1.
What are the key properties of [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone?
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone has a molecular weight of 370.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone is sourced from PubChem (CID 135504692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).