10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

C18H17NO4 — CID 44721723

IUPAC10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCOc1ccc(C23OCCCN2C(=O)c2ccccc23)c(O)c1
InChIInChI=1S/C18H17NO4/c1-22-12-7-8-15(16(20)11-12)18-14-6-3-2-5-13(14)17(21)19(18)9-4-10-23-18/h2-3,5-8,11,20H,4,9-10H2,1H3
InChIKeyFVJACRLJGMRBNP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.48
Rot. Bonds2

About 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 44721723) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID44721723
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCOc1ccc(C23OCCCN2C(=O)c2ccccc23)c(O)c1
InChIInChI=1S/C18H17NO4/c1-22-12-7-8-15(16(20)11-12)18-14-6-3-2-5-13(14)17(21)19(18)9-4-10-23-18/h2-3,5-8,11,20H,4,9-10H2,1H3
InChIKeyFVJACRLJGMRBNP-UHFFFAOYSA-N
XLogP2.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 21398454
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592315
9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592318
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592317
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
9b-isoquinolin-1-yl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178339
9b-(1H-benzimidazol-4-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178379
3-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2H-chromen-4-one
CID 151487704
(2S,10bR)-10b-[(E)-2-(3-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 166448249
11b-hydroxy-1,3,4,5-tetrahydro-[1,4]selenazepino[3,4-a]isoindol-7-one
CID 156612535
3-hydroxy-2-(2-hydroxy-5-methoxyphenyl)-13-methyl-11,14-diazapentacyclo[13.7.0.03,11.04,9.016,21]docosa-1(15),4,6,8,16,18,20-heptaene-10,22-dione
CID 71770882

Frequently Asked Questions

What is the IUPAC name of 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 44721723) is 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is COc1ccc(C23OCCCN2C(=O)c2ccccc23)c(O)c1.
What is the InChIKey of 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is FVJACRLJGMRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-12-7-8-15(16(20)11-12)18-14-6-3-2-5-13(14)17(21)19(18)9-4-10-23-18/h2-3,5-8,11,20H,4,9-10H2,1H3.
What are the key properties of 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 311.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 44721723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).