(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H11NO4 — CID 84582449

IUPAC(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CC(O)C1
InChIInChI=1S/C10H11NO4/c12-7-1-6(2-8(13)3-7)10(15)11-4-9(14)5-11/h1-3,9,12-14H,4-5H2
InChIKeyYVJCZDNFEOVDOH-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.09
Rot. Bonds1

About (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 84582449) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID84582449
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CC(O)C1
InChIInChI=1S/C10H11NO4/c12-7-1-6(2-8(13)3-7)10(15)11-4-9(14)5-11/h1-3,9,12-14H,4-5H2
InChIKeyYVJCZDNFEOVDOH-UHFFFAOYSA-N
XLogP-0.09
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209954
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 79411207
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 84582449) is (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cc(O)cc(O)c1)N1CC(O)C1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is YVJCZDNFEOVDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-7-1-6(2-8(13)3-7)10(15)11-4-9(14)5-11/h1-3,9,12-14H,4-5H2.
What are the key properties of (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 209.20 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 84582449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).