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

C22H15FO3 — CID 6554165

IUPAC(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESO=C1c2ccccc2O[C@H](c2ccccc2)[C@]12O[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C22H15FO3/c23-16-12-10-15(11-13-16)21-22(26-21)19(24)17-8-4-5-9-18(17)25-20(22)14-6-2-1-3-7-14/h1-13,20-21H/t20-,21-,22-/m1/s1
InChIKeyDLHWSFRTHSDMEO-YPAWHYETSA-N
MW346.36 g/mol
LogP4.65
Rot. Bonds2

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

(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (PubChem CID 6554165) has the molecular formula C22H15FO3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.

Molecular Properties

Compound Name(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
PubChem CID6554165
Molecular FormulaC22H15FO3
Molecular Weight346.36 g/mol
Exact Mass346.10
IUPAC Name(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESO=C1c2ccccc2O[C@H](c2ccccc2)[C@]12O[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C22H15FO3/c23-16-12-10-15(11-13-16)21-22(26-21)19(24)17-8-4-5-9-18(17)25-20(22)14-6-2-1-3-7-14/h1-13,20-21H/t20-,21-,22-/m1/s1
InChIKeyDLHWSFRTHSDMEO-YPAWHYETSA-N
XLogP4.65
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.65
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
(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 177403200
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
(1R,2S,3S,3'R)-3'-(4-fluorophenyl)-1-oxo-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 139206072
(2S,3R,3'S)-3'-(4-fluorophenyl)-1-oxo-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 10883376
3-chloro-2-(4-fluorophenyl)-3-nitro-2H-chromen-4-one
CID 11782227
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839
CID 163100940
CID 163100940
(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
(2S,3'S)-3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933122
(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
CID 13430215

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The IUPAC name of (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (CID 6554165) is (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.
What is the SMILES notation for (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The canonical SMILES for (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is O=C1c2ccccc2O[C@H](c2ccccc2)[C@]12O[C@@H]2c1ccc(F)cc1.
What is the InChIKey of (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The InChIKey is DLHWSFRTHSDMEO-YPAWHYETSA-N. The full InChI is InChI=1S/C22H15FO3/c23-16-12-10-15(11-13-16)21-22(26-21)19(24)17-8-4-5-9-18(17)25-20(22)14-6-2-1-3-7-14/h1-13,20-21H/t20-,21-,22-/m1/s1.
What are the key properties of (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
(2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one has a molecular weight of 346.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3'R)-3'-(4-fluorophenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is sourced from PubChem (CID 6554165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).