(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

C11H13NO3 — CID 103957501

IUPAC(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)ccc1O
InChIInChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)11(15)12-5-9(13)6-12/h2-4,9,13-14H,5-6H2,1H3
InChIKeyZNUMAZJMDWMJPR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.52
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 103957501) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID103957501
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)ccc1O
InChIInChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)11(15)12-5-9(13)6-12/h2-4,9,13-14H,5-6H2,1H3
InChIKeyZNUMAZJMDWMJPR-UHFFFAOYSA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
1-[(6R)-6-hydroxy-4-(3-hydroxy-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 97127858
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672067
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 135091669
[3-(2-hydroxyethyl)piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 103957620
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 103957501) is (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CC(O)C2)ccc1O.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is ZNUMAZJMDWMJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-4-8(2-3-10(7)14)11(15)12-5-9(13)6-12/h2-4,9,13-14H,5-6H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 103957501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).