2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol

C14H15NO3 — CID 54199171

IUPAC2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESOCCn1c(O)c2c(c1O)-c1ccccc1CC2
InChIInChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2
InChIKeyPNZQGQBVOHBMLS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds2

About 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol

2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol (PubChem CID 54199171) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
PubChem CID54199171
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESOCCn1c(O)c2c(c1O)-c1ccccc1CC2
InChIInChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2
InChIKeyPNZQGQBVOHBMLS-UHFFFAOYSA-N
XLogP1.66
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
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
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
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
4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
CID 16641470
1-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)naphthalen-2-ol
CID 137271237
1-[1-(2-methylsulfanylethyl)-4,5-dihydrobenzo[e]isoindol-2-yl]ethanone
CID 10946047
9,10-dihydrophenanthrene;phenanthrene
CID 159340402

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The IUPAC name of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol (CID 54199171) is 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The canonical SMILES for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol is OCCn1c(O)c2c(c1O)-c1ccccc1CC2.
What is the InChIKey of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The InChIKey is PNZQGQBVOHBMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-8-7-15-13(17)11-6-5-9-3-1-2-4-10(9)12(11)14(15)18/h1-4,16-18H,5-8H2.
What are the key properties of 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol has a molecular weight of 245.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54199171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).