2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol

C20H22FNO2 — CID 2845450

IUPAC2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C20H22FNO2/c1-2-24-20-13-15(3-8-19(20)23)14-22-11-9-17(10-12-22)16-4-6-18(21)7-5-16/h3-9,13,23H,2,10-12,14H2,1H3
InChIKeyHEUNAZINVISTLU-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.22
Rot. Bonds5

About 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol

2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol (PubChem CID 2845450) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
PubChem CID2845450
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C20H22FNO2/c1-2-24-20-13-15(3-8-19(20)23)14-22-11-9-17(10-12-22)16-4-6-18(21)7-5-16/h3-9,13,23H,2,10-12,14H2,1H3
InChIKeyHEUNAZINVISTLU-UHFFFAOYSA-N
XLogP4.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol (CID 2845450) is 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol is CCOc1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
The InChIKey is HEUNAZINVISTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-24-20-13-15(3-8-19(20)23)14-22-11-9-17(10-12-22)16-4-6-18(21)7-5-16/h3-9,13,23H,2,10-12,14H2,1H3.
What are the key properties of 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol?
2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol has a molecular weight of 327.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol is sourced from PubChem (CID 2845450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).