(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

C15H23NO3 — CID 129481356

IUPAC(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCOCCN1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-3-19-8-7-16-11-13(17)10-15(16)12-5-4-6-14(9-12)18-2/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyYVKDDKHNXUCOGC-HIFRSBDPSA-N
MW265.35 g/mol
LogP1.84
Rot. Bonds6

About (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol

(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129481356) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129481356
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
SMILESCCOCCN1C[C@H](O)C[C@H]1c1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-3-19-8-7-16-11-13(17)10-15(16)12-5-4-6-14(9-12)18-2/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyYVKDDKHNXUCOGC-HIFRSBDPSA-N
XLogP1.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-5-(3-methoxyphenyl)-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 100736446
N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
(3R,5S)-1-[2-(2-ethylpyrazol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100751648
(3S,5R)-5-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 100736568
5-(3-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 128964288
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
N-cyclopropyl-2-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129481337
(3R,5R)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346553
(3R,5S)-1-[(1,1-dioxothian-4-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129346555
1-(azetidin-1-yl)-2-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965750
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol (CID 129481356) is (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is CCOCCN1C[C@H](O)C[C@H]1c1cccc(OC)c1.
What is the InChIKey of (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is YVKDDKHNXUCOGC-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-19-8-7-16-11-13(17)10-15(16)12-5-4-6-14(9-12)18-2/h4-6,9,13,15,17H,3,7-8,10-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol?
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 265.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129481356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).