(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C12H14ClNO2 — CID 103781423

IUPAC(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C12H14ClNO2/c1-8-6-9(13)2-3-11(8)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyMHFQYMRSSVGZEX-JTQLQIEISA-N
MW239.70 g/mol
LogP1.86
Rot. Bonds1

About (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 103781423) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID103781423
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C12H14ClNO2/c1-8-6-9(13)2-3-11(8)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyMHFQYMRSSVGZEX-JTQLQIEISA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
[4-(1-bromoethyl)piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone
CID 114028204
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(5-chloro-2-nitrophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917930
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 103781423) is (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cc1cc(Cl)ccc1C(=O)N1CC[C@H](O)C1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is MHFQYMRSSVGZEX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8-6-9(13)2-3-11(8)12(16)14-5-4-10(15)7-14/h2-3,6,10,15H,4-5,7H2,1H3/t10-/m0/s1.
What are the key properties of (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 239.70 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 103781423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).