(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone

C11H13NO3 — CID 82829609

IUPAC(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H13NO3/c1-7-9(3-2-4-10(7)14)11(15)12-5-8(13)6-12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyYFJMCOTZNBTWMT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.52
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone

(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82829609) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82829609
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(O)C1
InChIInChI=1S/C11H13NO3/c1-7-9(3-2-4-10(7)14)11(15)12-5-8(13)6-12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyYFJMCOTZNBTWMT-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

(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829048
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone (CID 82829609) is (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is YFJMCOTZNBTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-9(3-2-4-10(7)14)11(15)12-5-8(13)6-12/h2-4,8,13-14H,5-6H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone?
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-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)-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82829609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).