2-benzyl-6-fluoroisoindol-1-ol

C15H12FNO — CID 90795823

IUPAC2-benzyl-6-fluoroisoindol-1-ol
SMILESOc1c2cc(F)ccc2cn1Cc1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-7-6-12-10-17(15(18)14(12)8-13)9-11-4-2-1-3-5-11/h1-8,10,18H,9H2
InChIKeyDUEDACJIPAMYJO-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.53
Rot. Bonds2

About 2-benzyl-6-fluoroisoindol-1-ol

2-benzyl-6-fluoroisoindol-1-ol (PubChem CID 90795823) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-benzyl-6-fluoroisoindol-1-ol.

Molecular Properties

Compound Name2-benzyl-6-fluoroisoindol-1-ol
PubChem CID90795823
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name2-benzyl-6-fluoroisoindol-1-ol
SMILESOc1c2cc(F)ccc2cn1Cc1ccccc1
InChIInChI=1S/C15H12FNO/c16-13-7-6-12-10-17(15(18)14(12)8-13)9-11-4-2-1-3-5-11/h1-8,10,18H,9H2
InChIKeyDUEDACJIPAMYJO-UHFFFAOYSA-N
XLogP3.53
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-fluoroisoindol-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-(4-hydroxyphenyl)-1H-indole
CID 16655672
Isoindolol
CID 21225249
Isoindolo[1,2-c][2,4]-benzoxazepine
CID 142755489
1-(4-Fluoro-phenyl)-1H-indol-5-ol
CID 11481556
6-fluoro-2H-isoindol-1-ol
CID 54270389
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
4-fluoro-2H-isoindol-1-ol
CID 54413322

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-fluoroisoindol-1-ol?
The IUPAC name of 2-benzyl-6-fluoroisoindol-1-ol (CID 90795823) is 2-benzyl-6-fluoroisoindol-1-ol.
What is the SMILES notation for 2-benzyl-6-fluoroisoindol-1-ol?
The canonical SMILES for 2-benzyl-6-fluoroisoindol-1-ol is Oc1c2cc(F)ccc2cn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-fluoroisoindol-1-ol?
The InChIKey is DUEDACJIPAMYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-7-6-12-10-17(15(18)14(12)8-13)9-11-4-2-1-3-5-11/h1-8,10,18H,9H2.
What are the key properties of 2-benzyl-6-fluoroisoindol-1-ol?
2-benzyl-6-fluoroisoindol-1-ol has a molecular weight of 241.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-fluoroisoindol-1-ol is sourced from PubChem (CID 90795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).