(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H12ClNO3 — CID 62918769

IUPAC(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C11H12ClNO3/c12-9-5-7(1-2-10(9)15)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2
InChIKeyDUOSUWCYBOYBIP-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.25
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62918769) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62918769
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C11H12ClNO3/c12-9-5-7(1-2-10(9)15)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2
InChIKeyDUOSUWCYBOYBIP-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

(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
(4-chloro-3-nitrophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877647
(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029528
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62918769) is (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1ccc(O)c(Cl)c1)N1CCC(O)C1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is DUOSUWCYBOYBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-9-5-7(1-2-10(9)15)11(16)13-4-3-8(14)6-13/h1-2,5,8,14-15H,3-4,6H2.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(3-chloro-4-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 (3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62918769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).