(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one

C16H12O2 — CID 736601

IUPAC(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2C[C@]12O[C@@H]2c1ccccc1
InChIInChI=1S/C16H12O2/c17-14-13-9-5-4-8-12(13)10-16(14)15(18-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-,16+/m1/s1
InChIKeyBPRSFVHQRNUUPG-CVEARBPZSA-N
MW236.27 g/mol
LogP2.94
Rot. Bonds1

About (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one

(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one (PubChem CID 736601) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
PubChem CID736601
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
SMILESO=C1c2ccccc2C[C@]12O[C@@H]2c1ccccc1
InChIInChI=1S/C16H12O2/c17-14-13-9-5-4-8-12(13)10-16(14)15(18-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-,16+/m1/s1
InChIKeyBPRSFVHQRNUUPG-CVEARBPZSA-N
XLogP2.94
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
(3S,3'S)-3'-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 92860308
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
(2S,3'S)-3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933122
(3'S,6R)-3'-(4-fluorophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
CID 6933143
(3'R,6S)-3'-(4-bromophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
CID 6933149
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
CID 132501821
3-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 127256723
(2S,3R)-2-phenylspiro[2H-thiochromene-3,2'-3H-indene]-1',4-dione
CID 177425919
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
CID 102281335

Frequently Asked Questions

What is the IUPAC name of (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one?
The IUPAC name of (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one (CID 736601) is (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one.
What is the SMILES notation for (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one?
The canonical SMILES for (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one is O=C1c2ccccc2C[C@]12O[C@@H]2c1ccccc1.
What is the InChIKey of (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one?
The InChIKey is BPRSFVHQRNUUPG-CVEARBPZSA-N. The full InChI is InChI=1S/C16H12O2/c17-14-13-9-5-4-8-12(13)10-16(14)15(18-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-,16+/m1/s1.
What are the key properties of (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one?
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one has a molecular weight of 236.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one is sourced from PubChem (CID 736601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).