1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol

C11H17NO3 — CID 171857583

IUPAC1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(C)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7-3-8(5-9(13)4-7)11(15)10(14)6-12-2/h3-5,10-15H,6H2,1-2H3
InChIKeyZIQBOXNDXJWZJO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.31
Rot. Bonds4

About 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol

1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857583) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857583
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(C)cc(O)c1
InChIInChI=1S/C11H17NO3/c1-7-3-8(5-9(13)4-7)11(15)10(14)6-12-2/h3-5,10-15H,6H2,1-2H3
InChIKeyZIQBOXNDXJWZJO-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
CID 170817493
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193
1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859115
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
S-[3,4-dihydroxy-4-(3-hydroxy-5-methylphenyl)butyl] ethanethioate
CID 171875512
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
1-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859245
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859246

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol (CID 171857583) is 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cc(C)cc(O)c1.
What is the InChIKey of 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is ZIQBOXNDXJWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-3-8(5-9(13)4-7)11(15)10(14)6-12-2/h3-5,10-15H,6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol?
1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 211.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5-methylphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).