4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

C12H11NO2 — CID 54538385

IUPAC4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESOc1[nH]c(O)c2c1CCc1ccccc1-2
InChIInChI=1S/C12H11NO2/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13-11/h1-4,13-15H,5-6H2
InChIKeyZBJVMLAMSXTNAJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.19
Rot. Bonds

About 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (PubChem CID 54538385) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
PubChem CID54538385
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESOc1[nH]c(O)c2c1CCc1ccccc1-2
InChIInChI=1S/C12H11NO2/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13-11/h1-4,13-15H,5-6H2
InChIKeyZBJVMLAMSXTNAJ-UHFFFAOYSA-N
XLogP2.19
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
2-methyl-9,10-dihydrophenanthrene-1,4-diol
CID 154253176
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 54199171
6-[10-(7,8-dihydrobenzo[c]phenanthren-6-yl)anthracen-9-yl]-7,8-dihydrobenzo[c]phenanthrene
CID 144726294
7,8-dihydrobenzo[c]phenanthren-6-ylboronic acid
CID 141414000
9,10-dihydrophenanthrene;ethane
CID 143759681
18-thiaheptacyclo[17.14.0.02,17.03,8.011,16.020,25.028,33]tritriaconta-1(19),2(17),3,5,7,11,13,15,20,22,24,28,30,32-tetradecaene
CID 134848386
4-acetyl-1-propan-2-yl-5,6-dihydro-2H-benzo[h]isoquinolin-3-one
CID 101362971

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The IUPAC name of 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (CID 54538385) is 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.
What is the SMILES notation for 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The canonical SMILES for 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is Oc1[nH]c(O)c2c1CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The InChIKey is ZBJVMLAMSXTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13-11/h1-4,13-15H,5-6H2.
What are the key properties of 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
4,5-dihydro-2H-benzo[e]isoindole-1,3-diol has a molecular weight of 201.23 g/mol, XLogP of 2.19, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54538385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).