(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol

C14H21NO3 — CID 70213371

IUPAC(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
SMILESCOCOC1CCN([C@H](CO)c2ccccc2)C1
InChIInChI=1S/C14H21NO3/c1-17-11-18-13-7-8-15(9-13)14(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13?,14-/m1/s1
InChIKeyCNONYXFNOHXTLC-ARLHGKGLSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds6

About (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol

(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol (PubChem CID 70213371) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
PubChem CID70213371
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
SMILESCOCOC1CCN([C@H](CO)c2ccccc2)C1
InChIInChI=1S/C14H21NO3/c1-17-11-18-13-7-8-15(9-13)14(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13?,14-/m1/s1
InChIKeyCNONYXFNOHXTLC-ARLHGKGLSA-N
XLogP1.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol 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

(2S)-3-hydroxy-1-[4-(methoxymethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 70065546
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
3-(3-ethoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 62780124
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
3-(3-methoxypiperidin-1-yl)-3-phenylpropanethioamide
CID 102958108
3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropanenitrile
CID 64597905
(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol
CID 101233461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol?
The IUPAC name of (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol (CID 70213371) is (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol is COCOC1CCN([C@H](CO)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol?
The InChIKey is CNONYXFNOHXTLC-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-18-13-7-8-15(9-13)14(10-16)12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13?,14-/m1/s1.
What are the key properties of (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol?
(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol has a molecular weight of 251.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 70213371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).