2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

C15H16FNO — CID 83207694

IUPAC2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C15H16FNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2
InChIKeyNOHWHWYSIQBFFK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.05
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83207694) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83207694
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C15H16FNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2
InChIKeyNOHWHWYSIQBFFK-UHFFFAOYSA-N
XLogP3.05
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 83207694) is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(Cc3ccccc3F)cc21.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is NOHWHWYSIQBFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 245.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83207694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).