(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one

C19H16O4 — CID 102281335

IUPAC(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
SMILESCOc1ccccc1[C@@H]1O[C@H]1[C@@H]1O[C@]12Cc1ccccc1C2=O
InChIInChI=1S/C19H16O4/c1-21-14-9-5-4-8-13(14)15-16(22-15)18-19(23-18)10-11-6-2-3-7-12(11)17(19)20/h2-9,15-16,18H,10H2,1H3/t15-,16+,18-,19-/m0/s1
InChIKeyZBKNSCATBJFYGD-NBMJBFSESA-N
MW308.33 g/mol
LogP2.71
Rot. Bonds3

About (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one

(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one (PubChem CID 102281335) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
PubChem CID102281335
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
SMILESCOc1ccccc1[C@@H]1O[C@H]1[C@@H]1O[C@]12Cc1ccccc1C2=O
InChIInChI=1S/C19H16O4/c1-21-14-9-5-4-8-13(14)15-16(22-15)18-19(23-18)10-11-6-2-3-7-12(11)17(19)20/h2-9,15-16,18H,10H2,1H3/t15-,16+,18-,19-/m0/s1
InChIKeyZBKNSCATBJFYGD-NBMJBFSESA-N
XLogP2.71
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.71
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

(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
3',4'-dimethoxy-2,2'-spirobi[3H-indene]-1,1'-dione
CID 91171114
(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473546
2-(2-methoxyphenyl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 175916705
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 11139739
8-methoxy-3-(2-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 175310251
ethane;3-(2-methoxyphenyl)-3H-1-benzofuran-2-one
CID 91371592
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
(2R,3S,3'R)-3'-(2-methoxyphenyl)-2-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 6554166
4'-(4-methylsulfonylphenyl)-3'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,5'-4H-1,2-oxazole]-1-one
CID 162664415
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
(5S)-5-(2-methoxyphenyl)-3,3-dimethyloxolan-2-one
CID 155935569

Frequently Asked Questions

What is the IUPAC name of (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one?
The IUPAC name of (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one (CID 102281335) is (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one.
What is the SMILES notation for (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one?
The canonical SMILES for (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one is COc1ccccc1[C@@H]1O[C@H]1[C@@H]1O[C@]12Cc1ccccc1C2=O.
What is the InChIKey of (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one?
The InChIKey is ZBKNSCATBJFYGD-NBMJBFSESA-N. The full InChI is InChI=1S/C19H16O4/c1-21-14-9-5-4-8-13(14)15-16(22-15)18-19(23-18)10-11-6-2-3-7-12(11)17(19)20/h2-9,15-16,18H,10H2,1H3/t15-,16+,18-,19-/m0/s1.
What are the key properties of (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one?
(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one has a molecular weight of 308.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one is sourced from PubChem (CID 102281335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).