4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol

C14H21NO3 — CID 104961912

IUPAC4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1O
InChIInChI=1S/C14H21NO3/c1-10-7-15(8-11(2)18-10)9-12-4-5-13(16)14(6-12)17-3/h4-6,10-11,16H,7-9H2,1-3H3/t10-,11+
InChIKeyVYXWRJJASJYMFS-PHIMTYICSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds3

About 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol (PubChem CID 104961912) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
PubChem CID104961912
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1O
InChIInChI=1S/C14H21NO3/c1-10-7-15(8-11(2)18-10)9-12-4-5-13(16)14(6-12)17-3/h4-6,10-11,16H,7-9H2,1-3H3/t10-,11+
InChIKeyVYXWRJJASJYMFS-PHIMTYICSA-N
XLogP2.01
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134
2-methoxy-4-[[(5S,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]phenol
CID 124885360
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol (CID 104961912) is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol is COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1O.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol?
The InChIKey is VYXWRJJASJYMFS-PHIMTYICSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-7-15(8-11(2)18-10)9-12-4-5-13(16)14(6-12)17-3/h4-6,10-11,16H,7-9H2,1-3H3/t10-,11+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol?
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol has a molecular weight of 251.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 104961912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).