1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol

C18H26FNO3 — CID 154751324

IUPAC1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESOC(COC1CCOCC1)CN1CC(Cc2ccccc2F)C1
InChIInChI=1S/C18H26FNO3/c19-18-4-2-1-3-15(18)9-14-10-20(11-14)12-16(21)13-23-17-5-7-22-8-6-17/h1-4,14,16-17,21H,5-13H2
InChIKeyWRJQSQHPJSOGLQ-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.86
Rot. Bonds7

About 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol

1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol (PubChem CID 154751324) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol
PubChem CID154751324
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol
SMILESOC(COC1CCOCC1)CN1CC(Cc2ccccc2F)C1
InChIInChI=1S/C18H26FNO3/c19-18-4-2-1-3-15(18)9-14-10-20(11-14)12-16(21)13-23-17-5-7-22-8-6-17/h1-4,14,16-17,21H,5-13H2
InChIKeyWRJQSQHPJSOGLQ-UHFFFAOYSA-N
XLogP1.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-3-(oxan-4-yloxy)propan-2-ol
CID 126778219
1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol
CID 166178994
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
(2S)-1-(oxan-4-yloxy)-3-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)propan-2-ol
CID 171359905
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol?
The IUPAC name of 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol (CID 154751324) is 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol is OC(COC1CCOCC1)CN1CC(Cc2ccccc2F)C1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol?
The InChIKey is WRJQSQHPJSOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c19-18-4-2-1-3-15(18)9-14-10-20(11-14)12-16(21)13-23-17-5-7-22-8-6-17/h1-4,14,16-17,21H,5-13H2.
What are the key properties of 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol?
1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol has a molecular weight of 323.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol is sourced from PubChem (CID 154751324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).