3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol

C10H15NO3 — CID 130664696

IUPAC3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
SMILESCOc1c(O)cccc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO3/c1-6(12)9(11)7-4-3-5-8(13)10(7)14-2/h3-6,9,12-13H,11H2,1-2H3/t6-,9-/m1/s1
InChIKeyAAGWJRQCQSXILQ-HZGVNTEJSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds3

About 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol

3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol (PubChem CID 130664696) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol.

Molecular Properties

Compound Name3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
PubChem CID130664696
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
SMILESCOc1c(O)cccc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C10H15NO3/c1-6(12)9(11)7-4-3-5-8(13)10(7)14-2/h3-6,9,12-13H,11H2,1-2H3/t6-,9-/m1/s1
InChIKeyAAGWJRQCQSXILQ-HZGVNTEJSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
2-(3-hydroxy-2-methoxyphenyl)propane-1,1,1-triol
CID 172561834
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
3-[(1S,2S)-1-amino-2-hydroxypropyl]-2-ethylphenol
CID 55269125
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol?
The IUPAC name of 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol (CID 130664696) is 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol.
What is the SMILES notation for 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol?
The canonical SMILES for 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol is COc1c(O)cccc1[C@H](N)[C@@H](C)O.
What is the InChIKey of 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol?
The InChIKey is AAGWJRQCQSXILQ-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)9(11)7-4-3-5-8(13)10(7)14-2/h3-6,9,12-13H,11H2,1-2H3/t6-,9-/m1/s1.
What are the key properties of 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol?
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol is sourced from PubChem (CID 130664696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).