(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone

C11H13NO3 — CID 63107497

IUPAC(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C11H13NO3/c1-15-10-4-2-3-8(5-10)11(14)12-6-9(13)7-12/h2-5,9,13H,6-7H2,1H3
InChIKeyMWTRTTBIDIYDEN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.51
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone

(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 63107497) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID63107497
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C11H13NO3/c1-15-10-4-2-3-8(5-10)11(14)12-6-9(13)7-12/h2-5,9,13H,6-7H2,1H3
InChIKeyMWTRTTBIDIYDEN-UHFFFAOYSA-N
XLogP0.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
tert-butyl N-[(3R,4R,6R)-3,6-dihydroxy-1-(3-methoxybenzoyl)azepan-4-yl]carbamate
CID 110153358
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
(3-hydroxyazetidin-1-yl)-[3-(6-methoxy-2-pyridinyl)phenyl]methanone
CID 118772155
(3-methoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594100
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone (CID 63107497) is (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC(O)C2)c1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is MWTRTTBIDIYDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-10-4-2-3-8(5-10)11(14)12-6-9(13)7-12/h2-5,9,13H,6-7H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone?
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 63107497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).