(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol

C15H23NO3 — CID 10801648

IUPAC(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOC[C@@H]1CCCN1C[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-18-11-13-4-3-9-16(13)10-15(17)12-5-7-14(19-2)8-6-12/h5-8,13,15,17H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyWAIOTSFJGPHBDS-DZGCQCFKSA-N
MW265.35 g/mol
LogP1.84
Rot. Bonds6

About (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol

(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 10801648) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID10801648
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOC[C@@H]1CCCN1C[C@@H](O)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO3/c1-18-11-13-4-3-9-16(13)10-15(17)12-5-7-14(19-2)8-6-12/h5-8,13,15,17H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyWAIOTSFJGPHBDS-DZGCQCFKSA-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

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Related Compounds

2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 91831409
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
4-[2-hydroxy-3-[2-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 111750629
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 81133466
1-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidin-2-yl]propan-2-one
CID 81133458
(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 101213323
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-hydroxyethyl]benzonitrile
CID 62886101
1-(3-methoxyphenyl)-2-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111489071
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol (CID 10801648) is (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol is COC[C@@H]1CCCN1C[C@@H](O)c1ccc(OC)cc1.
What is the InChIKey of (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is WAIOTSFJGPHBDS-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-11-13-4-3-9-16(13)10-15(17)12-5-7-14(19-2)8-6-12/h5-8,13,15,17H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol?
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol 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 (1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 10801648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).