1-hydroxy-2-phenylbenzo[cd]indol-3-one

C17H11NO2 — CID 122227341

IUPAC1-hydroxy-2-phenylbenzo[cd]indol-3-one
SMILESO=C1C=Cc2cccc3c2c1c(-c1ccccc1)n3O
InChIInChI=1S/C17H11NO2/c19-14-10-9-11-7-4-8-13-15(11)16(14)17(18(13)20)12-5-2-1-3-6-12/h1-10,20H
InChIKeyPUBFTMZOWPOUNW-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.76
Rot. Bonds1

About 1-hydroxy-2-phenylbenzo[cd]indol-3-one

1-hydroxy-2-phenylbenzo[cd]indol-3-one (PubChem CID 122227341) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-hydroxy-2-phenylbenzo[cd]indol-3-one.

Molecular Properties

Compound Name1-hydroxy-2-phenylbenzo[cd]indol-3-one
PubChem CID122227341
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name1-hydroxy-2-phenylbenzo[cd]indol-3-one
SMILESO=C1C=Cc2cccc3c2c1c(-c1ccccc1)n3O
InChIInChI=1S/C17H11NO2/c19-14-10-9-11-7-4-8-13-15(11)16(14)17(18(13)20)12-5-2-1-3-6-12/h1-10,20H
InChIKeyPUBFTMZOWPOUNW-UHFFFAOYSA-N
XLogP3.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2-phenylbenzo[cd]indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-oxo-7-phenylphenalen-1-yl) acetate
CID 623404
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819
cyclopenta[a]azulen-3-one;ethane
CID 158513758
azuleno[8,7-b]furan-2,9-dione
CID 91617324
4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 155055763
(9S)-9-hydroxy-7,9-dimethoxy-13-methyl-10-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
CID 169492711
phenalen-1-one;phosphoric acid
CID 70389787
acenaphthylene;benzene
CID 161131509
2-methylprop-2-enoic acid;phenalen-1-one
CID 138521176
4-bromo-1,3-dimethyl-2-phenylindole
CID 68814415
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-phenylbenzo[cd]indol-3-one?
The IUPAC name of 1-hydroxy-2-phenylbenzo[cd]indol-3-one (CID 122227341) is 1-hydroxy-2-phenylbenzo[cd]indol-3-one.
What is the SMILES notation for 1-hydroxy-2-phenylbenzo[cd]indol-3-one?
The canonical SMILES for 1-hydroxy-2-phenylbenzo[cd]indol-3-one is O=C1C=Cc2cccc3c2c1c(-c1ccccc1)n3O.
What is the InChIKey of 1-hydroxy-2-phenylbenzo[cd]indol-3-one?
The InChIKey is PUBFTMZOWPOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-14-10-9-11-7-4-8-13-15(11)16(14)17(18(13)20)12-5-2-1-3-6-12/h1-10,20H.
What are the key properties of 1-hydroxy-2-phenylbenzo[cd]indol-3-one?
1-hydroxy-2-phenylbenzo[cd]indol-3-one has a molecular weight of 261.28 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-phenylbenzo[cd]indol-3-one is sourced from PubChem (CID 122227341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).