[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

C21H25NO3 — CID 111472326

IUPAC[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-25-15-16-7-5-10-18(13-16)21(24)22-12-6-11-19(22)14-20(23)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,23H,6,11-12,14-15H2,1H3
InChIKeyDORYZHHLHUXQSQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.56
Rot. Bonds6

About [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (PubChem CID 111472326) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
PubChem CID111472326
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1
InChIInChI=1S/C21H25NO3/c1-25-15-16-7-5-10-18(13-16)21(24)22-12-6-11-19(22)14-20(23)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,23H,6,11-12,14-15H2,1H3
InChIKeyDORYZHHLHUXQSQ-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]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

3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119816945
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 96517884
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
(2-chloro-4-pyridinyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97081158
[2-(dimethylamino)-4-pyridinyl]-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472375
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2-methylsulfanyl-4-pyridinyl)methanone
CID 111472354
(2,3-dimethoxyphenyl)-[(2S)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 97000799
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
(3,4-dimethoxy-5-prop-2-enylphenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 71870514

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (CID 111472326) is [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is COCc1cccc(C(=O)N2CCCC2CC(O)c2ccccc2)c1.
What is the InChIKey of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is DORYZHHLHUXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-15-16-7-5-10-18(13-16)21(24)22-12-6-11-19(22)14-20(23)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,23H,6,11-12,14-15H2,1H3.
What are the key properties of [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 111472326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).