1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol

C12H17NO2 — CID 63282641

IUPAC1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
SMILESCOc1ccc(CCN2CC(O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-15-12-4-2-10(3-5-12)6-7-13-8-11(14)9-13/h2-5,11,14H,6-9H2,1H3
InChIKeySPDHVGRVRSNGBL-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol

1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol (PubChem CID 63282641) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
PubChem CID63282641
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
SMILESCOc1ccc(CCN2CC(O)C2)cc1
InChIInChI=1S/C12H17NO2/c1-15-12-4-2-10(3-5-12)6-7-13-8-11(14)9-13/h2-5,11,14H,6-9H2,1H3
InChIKeySPDHVGRVRSNGBL-UHFFFAOYSA-N
XLogP0.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103576951
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
cis-(1R,2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]cyclohexan-1-ol
CID 97085468
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol (CID 63282641) is 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol is COc1ccc(CCN2CC(O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol?
The InChIKey is SPDHVGRVRSNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-4-2-10(3-5-12)6-7-13-8-11(14)9-13/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol?
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol is sourced from PubChem (CID 63282641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).