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

C10H15NO3 — CID 55271938

IUPAC3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)CCO
InChIInChI=1S/C10H15NO3/c1-14-10-3-2-7(13)6-8(10)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m0/s1
InChIKeyULIQXWJJDWXBIM-VIFPVBQESA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

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

3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol (PubChem CID 55271938) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
PubChem CID55271938
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)CCO
InChIInChI=1S/C10H15NO3/c1-14-10-3-2-7(13)6-8(10)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m0/s1
InChIKeyULIQXWJJDWXBIM-VIFPVBQESA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
CID 171200778
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
CID 55296324
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The IUPAC name of 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol (CID 55271938) is 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol is COc1ccc(O)cc1[C@@H](N)CCO.
What is the InChIKey of 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
The InChIKey is ULIQXWJJDWXBIM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10-3-2-7(13)6-8(10)9(11)4-5-12/h2-3,6,9,12-13H,4-5,11H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol?
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol is sourced from PubChem (CID 55271938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).