2-[(4-fluorophenyl)methyl]isoindol-1-ol

C15H12FNO — CID 90979896

IUPAC2-[(4-fluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)15(17)18/h1-8,10,18H,9H2
InChIKeyHMEZYIQACUGXFD-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.53
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]isoindol-1-ol (PubChem CID 90979896) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]isoindol-1-ol
PubChem CID90979896
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name2-[(4-fluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c16-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)15(17)18/h1-8,10,18H,9H2
InChIKeyHMEZYIQACUGXFD-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]isoindol-1-ol (CID 90979896) is 2-[(4-fluorophenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The InChIKey is HMEZYIQACUGXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)15(17)18/h1-8,10,18H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]isoindol-1-ol?
2-[(4-fluorophenyl)methyl]isoindol-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-[(4-fluorophenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 90979896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).