2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol

C15H11FINO — CID 90733817

IUPAC2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol
SMILESOc1c2c(I)cccc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(17)14(11)15(18)19/h1-7,9,19H,8H2
InChIKeyOJJNWPYIPAOQEX-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.14
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol

2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol (PubChem CID 90733817) has the molecular formula C15H11FINO and a molecular weight of 367.16 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol
PubChem CID90733817
Molecular FormulaC15H11FINO
Molecular Weight367.16 g/mol
Exact Mass366.99
IUPAC Name2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol
SMILESOc1c2c(I)cccc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(17)14(11)15(18)19/h1-7,9,19H,8H2
InChIKeyOJJNWPYIPAOQEX-UHFFFAOYSA-N
XLogP4.14
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoindolol
CID 21225249
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
2-[3-[4-(4-Fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
CID 90701761
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 90761158
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
7-Amino-2-(2-fluoroethyl)isoindol-1-ol
CID 90774678

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol (CID 90733817) is 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol is Oc1c2c(I)cccc2cn1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol?
The InChIKey is OJJNWPYIPAOQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)8-18-9-11-2-1-3-13(17)14(11)15(18)19/h1-7,9,19H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol?
2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol has a molecular weight of 367.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-7-iodoisoindol-1-ol is sourced from PubChem (CID 90733817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).