3-(2-hydroxyethylamino)benzo[b]phenalen-7-one

C19H15NO2 — CID 12007934

IUPAC3-(2-hydroxyethylamino)benzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2ccc(NCCO)c3cccc1c23
InChIInChI=1S/C19H15NO2/c21-11-10-20-17-9-8-13-12-4-1-2-5-14(12)19(22)16-7-3-6-15(17)18(13)16/h1-9,20-21H,10-11H2
InChIKeyYQHVUMITQCWIEV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.46
Rot. Bonds3

About 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one

3-(2-hydroxyethylamino)benzo[b]phenalen-7-one (PubChem CID 12007934) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)benzo[b]phenalen-7-one
PubChem CID12007934
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-(2-hydroxyethylamino)benzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2ccc(NCCO)c3cccc1c23
InChIInChI=1S/C19H15NO2/c21-11-10-20-17-9-8-13-12-4-1-2-5-14(12)19(22)16-7-3-6-15(17)18(13)16/h1-9,20-21H,10-11H2
InChIKeyYQHVUMITQCWIEV-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-hydroxyethylamino)-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
CID 12049294
[(7-oxobenzo[a]phenalen-3-yl)amino] hydrogen sulfate
CID 154699784
2-(4-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11596714
2-butyl-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11674020
(2S)-2-[6-(2-hydroxyethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]pentanoic acid
CID 11653317
6-(2-hydroxyethylamino)-2-octylbenzo[de]isoquinoline-1,3-dione
CID 44787344
2-(2,3-dichlorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11625506
N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide
CID 101406375
tris[2-oxo-2-[(7-oxobenzo[a]phenalen-3-yl)amino]ethyl] benzene-1,3,5-tricarboxylate
CID 177491985
1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 56618724
1-(2,3-dihydroxypropylamino)-4-(2-hydroxyethylamino)anthracene-9,10-dione
CID 19751123
1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;ethane
CID 171638845

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one?
The IUPAC name of 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one (CID 12007934) is 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one.
What is the SMILES notation for 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one?
The canonical SMILES for 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one is O=C1c2ccccc2-c2ccc(NCCO)c3cccc1c23.
What is the InChIKey of 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one?
The InChIKey is YQHVUMITQCWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-11-10-20-17-9-8-13-12-4-1-2-5-14(12)19(22)16-7-3-6-15(17)18(13)16/h1-9,20-21H,10-11H2.
What are the key properties of 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one?
3-(2-hydroxyethylamino)benzo[b]phenalen-7-one has a molecular weight of 289.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)benzo[b]phenalen-7-one is sourced from PubChem (CID 12007934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).