7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

C21H24N2O3 — CID 3173235

IUPAC7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-13-4-6-14(7-5-13)17-11-21(12-20(2,3)22-19(25)23-21)26-18-10-15(24)8-9-16(17)18/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyVJHDSTAFQNFEQC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.79
Rot. Bonds1

About 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (PubChem CID 3173235) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.

Molecular Properties

Compound Name7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
PubChem CID3173235
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-13-4-6-14(7-5-13)17-11-21(12-20(2,3)22-19(25)23-21)26-18-10-15(24)8-9-16(17)18/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyVJHDSTAFQNFEQC-UHFFFAOYSA-N
XLogP3.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The IUPAC name of 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (CID 3173235) is 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.
What is the SMILES notation for 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The canonical SMILES for 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is Cc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1.
What is the InChIKey of 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The InChIKey is VJHDSTAFQNFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-4-6-14(7-5-13)17-11-21(12-20(2,3)22-19(25)23-21)26-18-10-15(24)8-9-16(17)18/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25).
What are the key properties of 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is sourced from PubChem (CID 3173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).