2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol

C21H16FNO2 — CID 90844794

IUPAC2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FNO2/c22-17-7-11-19(12-8-17)25-18-9-5-15(6-10-18)13-23-14-16-3-1-2-4-20(16)21(23)24/h1-12,14,24H,13H2
InChIKeyVIVIFXYLSKRABJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP5.33
Rot. Bonds4

About 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol

2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90844794) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90844794
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16FNO2/c22-17-7-11-19(12-8-17)25-18-9-5-15(6-10-18)13-23-14-16-3-1-2-4-20(16)21(23)24/h1-12,14,24H,13H2
InChIKeyVIVIFXYLSKRABJ-UHFFFAOYSA-N
XLogP5.33
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-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-[(4-Phenylmethoxyphenyl)methyl]indole
CID 23514006
2-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137647596
4-[4-(4-Hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137649614
4-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137653346
4-[4-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137655011
4-[4-(4-Hydroxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137656591
1-(4-Methoxybenzyl)-3,4-bis(2-methoxyphenyl)-1h-pyrrole
CID 134686899
1-(4-Methoxybenzyl)-3,4-bis(4-methoxyphenyl)-1h-pyrrole
CID 134686900
2-[7-fluoro-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxyindol-3-yl]-N,N-dimethylethanamine
CID 50996166
4-(4-fluorophenyl)-6-methoxy-9-methyl-2H-benzo[f]isoindol-1-ol
CID 53644487
1-[1-[4-(3-Fluorophenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 53992887
2-[4-[4-(4-Fluorophenoxy)piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54260256

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol (CID 90844794) is 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is VIVIFXYLSKRABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c22-17-7-11-19(12-8-17)25-18-9-5-15(6-10-18)13-23-14-16-3-1-2-4-20(16)21(23)24/h1-12,14,24H,13H2.
What are the key properties of 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol?
2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 333.36 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90844794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).