11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol

C20H14FNO3 — CID 54208883

IUPAC11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol
SMILESOc1[nH]cc2c(-c3ccc(F)cc3)c3c4c(ccc3cc12)OCCO4
InChIInChI=1S/C20H14FNO3/c21-13-4-1-11(2-5-13)17-15-10-22-20(23)14(15)9-12-3-6-16-19(18(12)17)25-8-7-24-16/h1-6,9-10,22-23H,7-8H2
InChIKeyPUMWNNZXGZGMQB-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.60
Rot. Bonds1

About 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol

11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol (PubChem CID 54208883) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol.

Molecular Properties

Compound Name11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol
PubChem CID54208883
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol
SMILESOc1[nH]cc2c(-c3ccc(F)cc3)c3c4c(ccc3cc12)OCCO4
InChIInChI=1S/C20H14FNO3/c21-13-4-1-11(2-5-13)17-15-10-22-20(23)14(15)9-12-3-6-16-19(18(12)17)25-8-7-24-16/h1-6,9-10,22-23H,7-8H2
InChIKeyPUMWNNZXGZGMQB-UHFFFAOYSA-N
XLogP4.60
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol with MolForge

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Related Compounds

4-(4-fluorophenyl)-6-methoxy-9-methyl-2H-benzo[f]isoindol-1-ol
CID 53644487
10-(4-fluorophenyl)-6-methyl-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53827216
10-(4-fluorophenyl)-3,8-dihydro-2H-[1]benzofuro[7,6-f]isoindol-7-ol
CID 53921366
10-(4-fluorophenyl)-6-methoxy-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53971709
10-(4-fluorophenyl)-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53991064
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
6-methyl-10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54337539
10-[4-(trifluoromethyl)phenyl]-8H-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 54413592
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54479502
4-(4-fluorophenyl)-6-methoxy-2H-benzo[f]isoindol-1-ol
CID 54503099
2-[[4-(2-Fluoropropan-2-yloxy)phenyl]methyl]-7-methyl-5-piperidin-4-ylisoindol-1-ol
CID 91103598
7-Methyl-5-[(oxan-4-ylmethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 91368000

Frequently Asked Questions

What is the IUPAC name of 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol?
The IUPAC name of 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol (CID 54208883) is 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol.
What is the SMILES notation for 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol?
The canonical SMILES for 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol is Oc1[nH]cc2c(-c3ccc(F)cc3)c3c4c(ccc3cc12)OCCO4.
What is the InChIKey of 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol?
The InChIKey is PUMWNNZXGZGMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c21-13-4-1-11(2-5-13)17-15-10-22-20(23)14(15)9-12-3-6-16-19(18(12)17)25-8-7-24-16/h1-6,9-10,22-23H,7-8H2.
What are the key properties of 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol?
11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol has a molecular weight of 335.33 g/mol, XLogP of 4.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-fluorophenyl)-3,9-dihydro-2H-[1,4]benzodioxino[8,7-f]isoindol-8-ol is sourced from PubChem (CID 54208883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).