4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol

C10H15NO4 — CID 70003904

IUPAC4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol
SMILESCC(O)Oc1cc([C@@H](O)CN)ccc1O
InChIInChI=1S/C10H15NO4/c1-6(12)15-10-4-7(9(14)5-11)2-3-8(10)13/h2-4,6,9,12-14H,5,11H2,1H3/t6?,9-/m0/s1
InChIKeySLUZBDSIFPAXLI-HSOSERFQSA-N
MW213.23 g/mol
LogP0.10
Rot. Bonds4

About 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol

4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol (PubChem CID 70003904) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol.

Molecular Properties

Compound Name4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol
PubChem CID70003904
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol
SMILESCC(O)Oc1cc([C@@H](O)CN)ccc1O
InChIInChI=1S/C10H15NO4/c1-6(12)15-10-4-7(9(14)5-11)2-3-8(10)13/h2-4,6,9,12-14H,5,11H2,1H3/t6?,9-/m0/s1
InChIKeySLUZBDSIFPAXLI-HSOSERFQSA-N
XLogP0.10
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-hydroxyethyl)-2-butoxyphenol
CID 54428460
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl] 2-hydroxypropanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87096344
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
2-(2-amino-1-hydroxyethyl)-4-(1-fluoroethyl)phenol
CID 84668851
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
3-[5-(2-aminoethyl)-2-hydroxyphenoxy]-5-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
CID 129036058
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 11537018
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 25127519
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol?
The IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol (CID 70003904) is 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol.
What is the SMILES notation for 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol?
The canonical SMILES for 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol is CC(O)Oc1cc([C@@H](O)CN)ccc1O.
What is the InChIKey of 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol?
The InChIKey is SLUZBDSIFPAXLI-HSOSERFQSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(12)15-10-4-7(9(14)5-11)2-3-8(10)13/h2-4,6,9,12-14H,5,11H2,1H3/t6?,9-/m0/s1.
What are the key properties of 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol?
4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol has a molecular weight of 213.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol is sourced from PubChem (CID 70003904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).