4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol

C13H19NO3 — CID 122185342

IUPAC4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
SMILESCOc1ccc(O)cc1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyLUMHKBSLNLNGBS-JTQLQIEISA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds4

About 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol

4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol (PubChem CID 122185342) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol.

Molecular Properties

Compound Name4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
PubChem CID122185342
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol
SMILESCOc1ccc(O)cc1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeyLUMHKBSLNLNGBS-JTQLQIEISA-N
XLogP1.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
3-(3,4-dichlorophenyl)-N-[4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]prop-2-enamide
CID 57170822
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
(2S)-2-[(5-amino-2-methoxyphenoxy)methyl]pyrrolidine-1-carboxylic acid
CID 69082020
methyl 4-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoate
CID 58575050
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol?
The IUPAC name of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol (CID 122185342) is 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol.
What is the SMILES notation for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol?
The canonical SMILES for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol is COc1ccc(O)cc1OC[C@@H]1CCCN1C.
What is the InChIKey of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol?
The InChIKey is LUMHKBSLNLNGBS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol?
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenol is sourced from PubChem (CID 122185342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).