(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one

C19H18O3 — CID 1276797

IUPAC(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCC(C)c1ccc([C@H]2O[C@]23COc2ccccc2C3=O)cc1
InChIInChI=1S/C19H18O3/c1-12(2)13-7-9-14(10-8-13)18-19(22-18)11-21-16-6-4-3-5-15(16)17(19)20/h3-10,12,18H,11H2,1-2H3/t18-,19+/m1/s1
InChIKeyJLVPKKMZRBSRKZ-MOPGFXCFSA-N
MW294.35 g/mol
LogP3.90
Rot. Bonds2

About (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one

(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one (PubChem CID 1276797) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one.

Molecular Properties

Compound Name(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one
PubChem CID1276797
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one
SMILESCC(C)c1ccc([C@H]2O[C@]23COc2ccccc2C3=O)cc1
InChIInChI=1S/C19H18O3/c1-12(2)13-7-9-14(10-8-13)18-19(22-18)11-21-16-6-4-3-5-15(16)17(19)20/h3-10,12,18H,11H2,1-2H3/t18-,19+/m1/s1
InChIKeyJLVPKKMZRBSRKZ-MOPGFXCFSA-N
XLogP3.90
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.90
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

7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
3,3-difluoro-2H-chromen-4-one
CID 156711266
(3R)-3-bromo-3-[(R)-bromo-(4-methylphenyl)methyl]-2H-chromen-4-one
CID 7037372
(2'S,3R)-2'-phenylspiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 7084615
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
2-phenylspiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
CID 1478538
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
(3R,4'S)-4'-(4-methoxyphenyl)spiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 7200676
(3R,3'S)-3'-ethylspiro[2H-chromene-3,2'-aziridine]-4-one
CID 10987336
(2S,3'S)-3'-(4-fluorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933122

Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one?
The IUPAC name of (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one (CID 1276797) is (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one.
What is the SMILES notation for (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one?
The canonical SMILES for (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one is CC(C)c1ccc([C@H]2O[C@]23COc2ccccc2C3=O)cc1.
What is the InChIKey of (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one?
The InChIKey is JLVPKKMZRBSRKZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H18O3/c1-12(2)13-7-9-14(10-8-13)18-19(22-18)11-21-16-6-4-3-5-15(16)17(19)20/h3-10,12,18H,11H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one?
(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one is sourced from PubChem (CID 1276797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).