(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one

C22H16O3 — CID 177403200

IUPAC(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESO=C1c2ccccc2O[C@@H](c2ccccc2)[C@@]12OC2c1ccccc1
InChIInChI=1S/C22H16O3/c23-19-17-13-7-8-14-18(17)24-20(15-9-3-1-4-10-15)22(19)21(25-22)16-11-5-2-6-12-16/h1-14,20-21H/t20-,21?,22-/m0/s1
InChIKeyFXPWEAGCMRGUAI-NHNZYLEHSA-N
MW328.37 g/mol
LogP4.51
Rot. Bonds2

About (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one

(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one (PubChem CID 177403200) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one.

Molecular Properties

Compound Name(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
PubChem CID177403200
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESO=C1c2ccccc2O[C@@H](c2ccccc2)[C@@]12OC2c1ccccc1
InChIInChI=1S/C22H16O3/c23-19-17-13-7-8-14-18(17)24-20(15-9-3-1-4-10-15)22(19)21(25-22)16-11-5-2-6-12-16/h1-14,20-21H/t20-,21?,22-/m0/s1
InChIKeyFXPWEAGCMRGUAI-NHNZYLEHSA-N
XLogP4.51
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.51
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

3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3856663
(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554165
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839
(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
CID 13430215
(2S,3R,4'S)-4'-(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 98388068
4'-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 101271227
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
7a-[(Z)-2-phenylethenyl]-1aH-oxireno[2,3-b]chromen-7-one
CID 46742719
(2S,3R,3'S)-3'-(4-fluorophenyl)-1-oxo-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 10883376
(1R,2S,3S,3'R)-3'-(4-fluorophenyl)-1-oxo-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 139206072
(2R,3R,4'R)-1',2,3',4'-tetraphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 139056858

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The IUPAC name of (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one (CID 177403200) is (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one.
What is the SMILES notation for (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The canonical SMILES for (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one is O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@]12OC2c1ccccc1.
What is the InChIKey of (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The InChIKey is FXPWEAGCMRGUAI-NHNZYLEHSA-N. The full InChI is InChI=1S/C22H16O3/c23-19-17-13-7-8-14-18(17)24-20(15-9-3-1-4-10-15)22(19)21(25-22)16-11-5-2-6-12-16/h1-14,20-21H/t20-,21?,22-/m0/s1.
What are the key properties of (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one?
(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one is sourced from PubChem (CID 177403200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).