2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione

C19H13NO3 — CID 102469897

IUPAC2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccc(CO)c1
InChIInChI=1S/C19H13NO3/c21-11-12-4-1-7-14(10-12)20-18(22)15-8-2-5-13-6-3-9-16(17(13)15)19(20)23/h1-10,21H,11H2
InChIKeyGWEBVZSYAWPTPE-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.13
Rot. Bonds2

About 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione

2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 102469897) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
PubChem CID102469897
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccc(CO)c1
InChIInChI=1S/C19H13NO3/c21-11-12-4-1-7-14(10-12)20-18(22)15-8-2-5-13-6-3-9-16(17(13)15)19(20)23/h1-10,21H,11H2
InChIKeyGWEBVZSYAWPTPE-UHFFFAOYSA-N
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[3-(hydroperoxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 91034571
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
2-(3-deuteriocarbonylphenyl)benzo[de]isoquinoline-1,3-dione
CID 59970412
2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
CID 90079550
3-[3-(hydroxymethyl)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552285
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
CID 61328558
2-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]isoindole-1,3-dione
CID 168517893
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 682010
2-(4-aminosulfanylphenyl)benzo[de]isoquinoline-1,3-dione
CID 123241495
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
2-[3-(hydroxymethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 104549148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione (CID 102469897) is 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is GWEBVZSYAWPTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-11-12-4-1-7-14(10-12)20-18(22)15-8-2-5-13-6-3-9-16(17(13)15)19(20)23/h1-10,21H,11H2.
What are the key properties of 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione?
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 303.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102469897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).