3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol

C9H13NO3 — CID 55292444

IUPAC3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)CO
InChIInChI=1S/C9H13NO3/c1-13-9-3-2-6(12)4-7(9)8(10)5-11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1
InChIKeyXRNVPANERNBCEA-QMMMGPOBSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol

3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol (PubChem CID 55292444) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
PubChem CID55292444
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
SMILESCOc1ccc(O)cc1[C@@H](N)CO
InChIInChI=1S/C9H13NO3/c1-13-9-3-2-6(12)4-7(9)8(10)5-11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1
InChIKeyXRNVPANERNBCEA-QMMMGPOBSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
CID 55296324
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol?
The IUPAC name of 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol (CID 55292444) is 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol.
What is the SMILES notation for 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol?
The canonical SMILES for 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol is COc1ccc(O)cc1[C@@H](N)CO.
What is the InChIKey of 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol?
The InChIKey is XRNVPANERNBCEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-9-3-2-6(12)4-7(9)8(10)5-11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol?
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol is sourced from PubChem (CID 55292444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).