3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol

C19H29NO3 — CID 167807931

IUPAC3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCOc1c(C)cc(CN2CCCC2C2COCCC2O)cc1C
InChIInChI=1S/C19H29NO3/c1-13-9-15(10-14(2)19(13)22-3)11-20-7-4-5-17(20)16-12-23-8-6-18(16)21/h9-10,16-18,21H,4-8,11-12H2,1-3H3
InChIKeyQTOMNMMPZPUISA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.67
Rot. Bonds4

About 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol

3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 167807931) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID167807931
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCOc1c(C)cc(CN2CCCC2C2COCCC2O)cc1C
InChIInChI=1S/C19H29NO3/c1-13-9-15(10-14(2)19(13)22-3)11-20-7-4-5-17(20)16-12-23-8-6-18(16)21/h9-10,16-18,21H,4-8,11-12H2,1-3H3
InChIKeyQTOMNMMPZPUISA-UHFFFAOYSA-N
XLogP2.67
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol 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

[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129349776
[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 128965133
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167884918
(3R,4R)-3-[(2R)-1-[2-(3-ethylphenoxy)ethyl]pyrrolidin-2-yl]oxan-4-ol
CID 129447443
(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129448969
[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 129491176
(3R,4R)-3-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]oxan-4-ol
CID 129349851
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
4-fluoro-2-[[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128965415
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
4-fluoro-3-[[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 100704961

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol (CID 167807931) is 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol is COc1c(C)cc(CN2CCCC2C2COCCC2O)cc1C.
What is the InChIKey of 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is QTOMNMMPZPUISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-13-9-15(10-14(2)19(13)22-3)11-20-7-4-5-17(20)16-12-23-8-6-18(16)21/h9-10,16-18,21H,4-8,11-12H2,1-3H3.
What are the key properties of 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol?
3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 319.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 167807931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).