3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol

C10H15NO3 — CID 131000809

IUPAC3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@H](N)[C@H](C)O
InChIInChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(13)3-4-9(8)14-2/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1
InChIKeySSMJJZXJAJLXPA-QUBYGPBYSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds3

About 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol

3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol (PubChem CID 131000809) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
PubChem CID131000809
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@H](N)[C@H](C)O
InChIInChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(13)3-4-9(8)14-2/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1
InChIKeySSMJJZXJAJLXPA-QUBYGPBYSA-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

3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The IUPAC name of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol (CID 131000809) is 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol is COc1ccc(O)cc1[C@H](N)[C@H](C)O.
What is the InChIKey of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The InChIKey is SSMJJZXJAJLXPA-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(13)3-4-9(8)14-2/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1.
What are the key properties of 3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-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,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol is sourced from PubChem (CID 131000809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).