(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

C10H10ClNO3 — CID 106502455

IUPAC(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CC(O)C1
InChIInChI=1S/C10H10ClNO3/c11-9-2-1-6(13)3-8(9)10(15)12-4-7(14)5-12/h1-3,7,13-14H,4-5H2
InChIKeyKLGNVTCSSZJCQC-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.86
Rot. Bonds1

About (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 106502455) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID106502455
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(O)ccc1Cl)N1CC(O)C1
InChIInChI=1S/C10H10ClNO3/c11-9-2-1-6(13)3-8(9)10(15)12-4-7(14)5-12/h1-3,7,13-14H,4-5H2
InChIKeyKLGNVTCSSZJCQC-UHFFFAOYSA-N
XLogP0.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 106500416
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106502209
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(2-chloro-5-hydroxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 106502690
(2-chloro-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone (CID 106502455) is (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cc(O)ccc1Cl)N1CC(O)C1.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is KLGNVTCSSZJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-9-2-1-6(13)3-8(9)10(15)12-4-7(14)5-12/h1-3,7,13-14H,4-5H2.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 227.65 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 106502455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).