(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one

C15H10O3 — CID 13430215

IUPAC(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
SMILESO=C1c2ccccc2O[C@H]2O[C@@]12c1ccccc1
InChIInChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)17-14-15(13,18-14)10-6-2-1-3-7-10/h1-9,14H/t14-,15-/m0/s1
InChIKeyPPVMRVQMJLSRQG-GJZGRUSLSA-N
MW238.24 g/mol
LogP2.51
Rot. Bonds1

About (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one

(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one (PubChem CID 13430215) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one.

Molecular Properties

Compound Name(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
PubChem CID13430215
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
SMILESO=C1c2ccccc2O[C@H]2O[C@@]12c1ccccc1
InChIInChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)17-14-15(13,18-14)10-6-2-1-3-7-10/h1-9,14H/t14-,15-/m0/s1
InChIKeyPPVMRVQMJLSRQG-GJZGRUSLSA-N
XLogP2.51
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7a-phenyl-4-propan-2-yloxy-1aH-oxireno[2,3-b]chromen-7-one
CID 11000941
(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 177403200
7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one
CID 46742719
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554165
3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3856663
(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
CID 139129040
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
3-bromo-4-oxo-2,3-diphenylchromen-2-olate
CID 134840633
2-ethyl-3-methyl-4-oxo-2H-chromene-3-carboxylic acid
CID 68674193
(2S,3R,4'S)-4'-(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 98388068
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839

Frequently Asked Questions

What is the IUPAC name of (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one?
The IUPAC name of (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one (CID 13430215) is (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one.
What is the SMILES notation for (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one?
The canonical SMILES for (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one is O=C1c2ccccc2O[C@H]2O[C@@]12c1ccccc1.
What is the InChIKey of (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one?
The InChIKey is PPVMRVQMJLSRQG-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)17-14-15(13,18-14)10-6-2-1-3-7-10/h1-9,14H/t14-,15-/m0/s1.
What are the key properties of (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one?
(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one has a molecular weight of 238.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one is sourced from PubChem (CID 13430215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).