2-phenylmethoxybenzo[de]isoquinoline-1,3-dione

C19H13NO3 — CID 781525

IUPAC2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1
InChIInChI=1S/C19H13NO3/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyUIIXOCCCNFTDKB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.57
Rot. Bonds3

About 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione

2-phenylmethoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 781525) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
PubChem CID781525
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-phenylmethoxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1
InChIInChI=1S/C19H13NO3/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyUIIXOCCCNFTDKB-UHFFFAOYSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxynaphthalimide
CID 82263
n,n-(1,8-naphthalyl)hydroxylamine sodium salt
CID 23689369
2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione
CID 1483615
2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione
CID 118732921
2-Butoxy-benzo[de]isoquinoline-1,3-dione
CID 2843403
2-(butyryloxy)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 977414
6-benzoyl-2-hydroxy-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 7573771
6-([1,1'-Biphenyl]-3-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
CID 57393626
1-N-hydroxy-3-N-(naphthalen-1-ylmethoxy)benzene-1,3-dicarboxamide
CID 164609124
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl benzoate
CID 961400
1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-butylcyclohexanecarboxylate
CID 5115334
N-(2-naphthyl)methoxyphthalimide
CID 22131445

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione (CID 781525) is 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is UIIXOCCCNFTDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-18-15-10-4-8-14-9-5-11-16(17(14)15)19(22)20(18)23-12-13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione?
2-phenylmethoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 781525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).