4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione

C14H11NO3 — CID 70302799

IUPAC4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1c(CCO)cc1ccccc21
InChIInChI=1S/C14H11NO3/c16-6-5-9-7-8-3-1-2-4-10(8)12-11(9)13(17)15-14(12)18/h1-4,7,16H,5-6H2,(H,15,17,18)
InChIKeyHCZCYFTUQYZYKX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.26
Rot. Bonds2

About 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione

4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione (PubChem CID 70302799) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione
PubChem CID70302799
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1c(CCO)cc1ccccc21
InChIInChI=1S/C14H11NO3/c16-6-5-9-7-8-3-1-2-4-10(8)12-11(9)13(17)15-14(12)18/h1-4,7,16H,5-6H2,(H,15,17,18)
InChIKeyHCZCYFTUQYZYKX-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromopropyl)benzo[e]isoindole-1,3-dione
CID 67876975
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
2-chrysen-5-ylethanol
CID 87369966
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
(1,3-dioxobenzo[e]isoindol-4-yl) methanesulfonate
CID 87189525
2-(1-naphthalen-1-ylnaphthalen-2-yl)ethanol
CID 101270309
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
4-amino-5-[2-(2-hydroxyethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326899
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
1,3-dioxobenzo[e]isoindole-4,5-dicarboxylic acid
CID 70631194
4-methoxybenzo[f]isoindole-1,3-dione
CID 11775900

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione?
The IUPAC name of 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione (CID 70302799) is 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione.
What is the SMILES notation for 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione?
The canonical SMILES for 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione is O=C1NC(=O)c2c1c(CCO)cc1ccccc21.
What is the InChIKey of 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione?
The InChIKey is HCZCYFTUQYZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-6-5-9-7-8-3-1-2-4-10(8)12-11(9)13(17)15-14(12)18/h1-4,7,16H,5-6H2,(H,15,17,18).
What are the key properties of 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione?
4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione has a molecular weight of 241.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione is sourced from PubChem (CID 70302799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).