[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol

C12H12FNO — CID 174850318

IUPAC[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1C1=CC=NCC1
InChIInChI=1S/C12H12FNO/c13-11-1-2-12(10(7-11)8-15)9-3-5-14-6-4-9/h1-3,5,7,15H,4,6,8H2
InChIKeyJQTDQBQJWGFOFI-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.18
Rot. Bonds2

About [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol

[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol (PubChem CID 174850318) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol
PubChem CID174850318
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)ccc1C1=CC=NCC1
InChIInChI=1S/C12H12FNO/c13-11-1-2-12(10(7-11)8-15)9-3-5-14-6-4-9/h1-3,5,7,15H,4,6,8H2
InChIKeyJQTDQBQJWGFOFI-UHFFFAOYSA-N
XLogP2.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol?
The IUPAC name of [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol (CID 174850318) is [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol is OCc1cc(F)ccc1C1=CC=NCC1.
What is the InChIKey of [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol?
The InChIKey is JQTDQBQJWGFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-1-2-12(10(7-11)8-15)9-3-5-14-6-4-9/h1-3,5,7,15H,4,6,8H2.
What are the key properties of [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol?
[2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol has a molecular weight of 205.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydropyridin-4-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 174850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).