5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

C11H17NO3 — CID 6603919

IUPAC5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(C)NC[C@H](O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
InChIKeyLMOINURANNBYCM-NSHDSACASA-N
MW211.26 g/mol
LogP1.13
Rot. Bonds4

About 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol

5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol (PubChem CID 6603919) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
PubChem CID6603919
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
SMILESCC(C)NC[C@H](O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
InChIKeyLMOINURANNBYCM-NSHDSACASA-N
XLogP1.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol (CID 6603919) is 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol is CC(C)NC[C@H](O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
The InChIKey is LMOINURANNBYCM-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol?
5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 6603919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).