3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol

C11H14FNO2 — CID 83688912

IUPAC3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
SMILESCOc1ccc(F)cc1CC1(O)CNC1
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-9(12)4-8(10)5-11(14)6-13-7-11/h2-4,13-14H,5-7H2,1H3
InChIKeyFCQFEPVNHINKQN-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.71
Rot. Bonds3

About 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol

3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol (PubChem CID 83688912) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
PubChem CID83688912
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
SMILESCOc1ccc(F)cc1CC1(O)CNC1
InChIInChI=1S/C11H14FNO2/c1-15-10-3-2-9(12)4-8(10)5-11(14)6-13-7-11/h2-4,13-14H,5-7H2,1H3
InChIKeyFCQFEPVNHINKQN-UHFFFAOYSA-N
XLogP0.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]azetidin-3-ol
CID 102617348
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380
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CID 117284575
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CID 83824702
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate
CID 82282026
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol?
The IUPAC name of 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol (CID 83688912) is 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol?
The canonical SMILES for 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol is COc1ccc(F)cc1CC1(O)CNC1.
What is the InChIKey of 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol?
The InChIKey is FCQFEPVNHINKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-10-3-2-9(12)4-8(10)5-11(14)6-13-7-11/h2-4,13-14H,5-7H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol?
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol has a molecular weight of 211.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 83688912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).