5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione

C14H10ClNO3 — CID 13237905

IUPAC5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione
SMILESO=C1c2cn(CCO)cc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H10ClNO3/c15-11-3-1-2-8-12(11)14(19)10-7-16(4-5-17)6-9(10)13(8)18/h1-3,6-7,17H,4-5H2
InChIKeyFUPWDUSCPKPPJU-UHFFFAOYSA-N
MW275.69 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione

5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione (PubChem CID 13237905) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione
PubChem CID13237905
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione
SMILESO=C1c2cn(CCO)cc2C(=O)c2c(Cl)cccc21
InChIInChI=1S/C14H10ClNO3/c15-11-3-1-2-8-12(11)14(19)10-7-16(4-5-17)6-9(10)13(8)18/h1-3,6-7,17H,4-5H2
InChIKeyFUPWDUSCPKPPJU-UHFFFAOYSA-N
XLogP1.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
1,5-dichloro-10-methylideneanthracen-9-one
CID 13129777
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
6-bromo-1-chloroanthracene-9,10-dione
CID 157462041
3,4,5-trichlorofluoren-9-one
CID 82579530
4,6,10,12-tetrachlorotetracene-5,11-dione
CID 70840909
1-chloro-10-methylideneanthracen-9-one
CID 154097913
sodium 8-chloro-9,10-dioxoanthracene-2-sulfonate
CID 44784325
6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 44567396
5-chloro-1H-benzo[f]indazole-4,9-dione
CID 501296
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-pentylanthracene-9,10-dione
CID 174787165
6-chloro-14-(2-chloroethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
CID 139178652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione?
The IUPAC name of 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione (CID 13237905) is 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione.
What is the SMILES notation for 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione?
The canonical SMILES for 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione is O=C1c2cn(CCO)cc2C(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione?
The InChIKey is FUPWDUSCPKPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-11-3-1-2-8-12(11)14(19)10-7-16(4-5-17)6-9(10)13(8)18/h1-3,6-7,17H,4-5H2.
What are the key properties of 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione?
5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione has a molecular weight of 275.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxyethyl)benzo[f]isoindole-4,9-dione is sourced from PubChem (CID 13237905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).