(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one

C25H19NO — CID 102291257

IUPAC(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one
SMILESCc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c(C)cccc32)cc1
InChIInChI=1S/C25H19NO/c1-16-10-12-18(13-11-16)24-20-8-5-6-17(2)23(20)25(26-24)15-14-22(27)19-7-3-4-9-21(19)25/h3-15H,1-2H3/t25-/m1/s1
InChIKeyMKSPTQRHQFVPHS-RUZDIDTESA-N
MW349.43 g/mol
LogP5.15
Rot. Bonds1

About (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one

(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one (PubChem CID 102291257) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one
PubChem CID102291257
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one
SMILESCc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c(C)cccc32)cc1
InChIInChI=1S/C25H19NO/c1-16-10-12-18(13-11-16)24-20-8-5-6-17(2)23(20)25(26-24)15-14-22(27)19-7-3-4-9-21(19)25/h3-15H,1-2H3/t25-/m1/s1
InChIKeyMKSPTQRHQFVPHS-RUZDIDTESA-N
XLogP5.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one?
The IUPAC name of (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one (CID 102291257) is (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one.
What is the SMILES notation for (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one?
The canonical SMILES for (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one is Cc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c(C)cccc32)cc1.
What is the InChIKey of (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one?
The InChIKey is MKSPTQRHQFVPHS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H19NO/c1-16-10-12-18(13-11-16)24-20-8-5-6-17(2)23(20)25(26-24)15-14-22(27)19-7-3-4-9-21(19)25/h3-15H,1-2H3/t25-/m1/s1.
What are the key properties of (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one?
(1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one has a molecular weight of 349.43 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-methyl-3-(4-methylphenyl)spiro[isoindole-1,4'-naphthalene]-1'-one is sourced from PubChem (CID 102291257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).