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

C23H18O4 — CID 6554166

IUPAC(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCOc1ccccc1[C@H]1O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccccc1
InChIInChI=1S/C23H18O4/c1-25-18-13-7-6-12-17(18)22-23(27-22)20(24)16-11-5-8-14-19(16)26-21(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22-,23-/m1/s1
InChIKeySKQPRKACEDFNMK-DNVJHFABSA-N
MW358.39 g/mol
LogP4.52
Rot. Bonds3

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

(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (PubChem CID 6554166) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.

Molecular Properties

Compound Name(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
PubChem CID6554166
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCOc1ccccc1[C@H]1O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccccc1
InChIInChI=1S/C23H18O4/c1-25-18-13-7-6-12-17(18)22-23(27-22)20(24)16-11-5-8-14-19(16)26-21(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22-,23-/m1/s1
InChIKeySKQPRKACEDFNMK-DNVJHFABSA-N
XLogP4.52
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.52
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

(2S,3R)-2,3'-diphenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 177403200
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
4'-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 101271227
(2S,3S,4'R)-3',4'-bis(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-4H-1,2-oxazole]-4-one
CID 139065839
3,3,7-trihydroxy-6-methoxy-2-phenyl-2H-chromen-4-one
CID 70017035
(2R,3S,3'R)-3'-(4-methoxyphenyl)-2-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 101193555
(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
CID 10096336
ethyl (2R,3R)-3-fluoro-4-oxo-2-(4-phenylphenyl)-2H-chromene-3-carboxylate
CID 25213191
(2S,3R,4'S)-4'-(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 98388068
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The IUPAC name of (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one (CID 6554166) is (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one.
What is the SMILES notation for (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The canonical SMILES for (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is COc1ccccc1[C@H]1O[C@@]12C(=O)c1ccccc1O[C@@H]2c1ccccc1.
What is the InChIKey of (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
The InChIKey is SKQPRKACEDFNMK-DNVJHFABSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-18-13-7-6-12-17(18)22-23(27-22)20(24)16-11-5-8-14-19(16)26-21(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22-,23-/m1/s1.
What are the key properties of (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one?
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one has a molecular weight of 358.39 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one is sourced from PubChem (CID 6554166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).