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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Related Compounds

4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 782013
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-ethoxyphenol
CID 1377058
1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 1375655
6-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24926607
2-ethoxy-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenol
CID 82980462
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291

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).