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

C11H12ClNO3 — CID 62918777

IUPAC(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(O)C1
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-10(15)9(5-7)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2
InChIKeyYHGILAGHMJXCGH-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.25
Rot. Bonds1

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

(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62918777) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62918777
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1O)N1CCC(O)C1
InChIInChI=1S/C11H12ClNO3/c12-7-1-2-10(15)9(5-7)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2
InChIKeyYHGILAGHMJXCGH-UHFFFAOYSA-N
XLogP1.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 94339999
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917930
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62918777) is (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1cc(Cl)ccc1O)N1CCC(O)C1.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is YHGILAGHMJXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-1-2-10(15)9(5-7)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2.
What are the key properties of (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 241.67 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62918777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).