(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

C24H24O4 — CID 15264110

IUPAC(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCC1=CCC2(O[C@@H]1O[C@@H](c1ccccc1)C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H24O4/c1-15(2)20(17-9-5-4-6-10-17)27-23-16(3)13-14-24(28-23)21(25)18-11-7-8-12-19(18)22(24)26/h4-13,15,20,23H,14H2,1-3H3/t20-,23+/m1/s1
InChIKeyJFAIPCHPBKIBCD-OFNKIYASSA-N
MW376.45 g/mol
LogP4.91
Rot. Bonds4

About (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione

(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (PubChem CID 15264110) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
PubChem CID15264110
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
SMILESCC1=CCC2(O[C@@H]1O[C@@H](c1ccccc1)C(C)C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H24O4/c1-15(2)20(17-9-5-4-6-10-17)27-23-16(3)13-14-24(28-23)21(25)18-11-7-8-12-19(18)22(24)26/h4-13,15,20,23H,14H2,1-3H3/t20-,23+/m1/s1
InChIKeyJFAIPCHPBKIBCD-OFNKIYASSA-N
XLogP4.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
CID 15264117
(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
CID 15584921
3-methyl-2-(1-phenylethyl)-2,5-dihydropyran-6-one
CID 12063901
spiro[indene-2,2'-oxirane]-1,3-dione
CID 20739732
(2-methyl-1-phenylpropyl) N-propan-2-ylcarbamate
CID 101083275
ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
CID 143176394
2-[(1R)-2-methyl-1-phenylpropoxy]ethanamine
CID 124500369
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
(3R,3'R)-3'-(4-propan-2-ylphenyl)spiro[2H-chromene-3,2'-oxirane]-4-one
CID 1276797
ethyl (3R)-3-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-3-phenylpropanoate
CID 15305833
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The IUPAC name of (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione (CID 15264110) is (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione.
What is the SMILES notation for (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The canonical SMILES for (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is CC1=CCC2(O[C@@H]1O[C@@H](c1ccccc1)C(C)C)C(=O)c1ccccc1C2=O.
What is the InChIKey of (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
The InChIKey is JFAIPCHPBKIBCD-OFNKIYASSA-N. The full InChI is InChI=1S/C24H24O4/c1-15(2)20(17-9-5-4-6-10-17)27-23-16(3)13-14-24(28-23)21(25)18-11-7-8-12-19(18)22(24)26/h4-13,15,20,23H,14H2,1-3H3/t20-,23+/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione?
(2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione has a molecular weight of 376.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(1R)-2-methyl-1-phenylpropoxy]spiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione is sourced from PubChem (CID 15264110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).