2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol

C23H19FINO2 — CID 90701761

IUPAC2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
SMILESOc1c2c(I)cccc2cn1CCCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FINO2/c24-18-8-12-20(13-9-18)28-19-10-6-16(7-11-19)3-2-14-26-15-17-4-1-5-21(25)22(17)23(26)27/h1,4-13,15,27H,2-3,14H2
InChIKeyRVEONUFOKKCJJU-UHFFFAOYSA-N
MW487.31 g/mol
LogP6.52
Rot. Bonds6

About 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol

2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol (PubChem CID 90701761) has the molecular formula C23H19FINO2 and a molecular weight of 487.31 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
PubChem CID90701761
Molecular FormulaC23H19FINO2
Molecular Weight487.31 g/mol
Exact Mass487.04
IUPAC Name2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
SMILESOc1c2c(I)cccc2cn1CCCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FINO2/c24-18-8-12-20(13-9-18)28-19-10-6-16(7-11-19)3-2-14-26-15-17-4-1-5-21(25)22(17)23(26)27/h1,4-13,15,27H,2-3,14H2
InChIKeyRVEONUFOKKCJJU-UHFFFAOYSA-N
XLogP6.52
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.31
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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-[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
1-[1-[4-(4-Fluorophenyl)phenoxy]-4-pyridin-4-ylbutan-2-yl]pyrrole-2,5-diol
CID 54439809
3-[4-(3-Fluorophenyl)-2-methylisoquinolin-2-ium-7-yl]oxypropan-1-ol
CID 66885549
2-[4-(4-Fluorophenoxy)cyclohexyl]isoindole
CID 69496210
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
7-Methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90690987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol?
The IUPAC name of 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol (CID 90701761) is 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol.
What is the SMILES notation for 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol?
The canonical SMILES for 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol is Oc1c2c(I)cccc2cn1CCCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol?
The InChIKey is RVEONUFOKKCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FINO2/c24-18-8-12-20(13-9-18)28-19-10-6-16(7-11-19)3-2-14-26-15-17-4-1-5-21(25)22(17)23(26)27/h1,4-13,15,27H,2-3,14H2.
What are the key properties of 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol?
2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol has a molecular weight of 487.31 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol is sourced from PubChem (CID 90701761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).