2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol

C11H17NO3 — CID 112717400

IUPAC2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
SMILESCc1cccc(O)c1C(O)C(N)CCO
InChIInChI=1S/C11H17NO3/c1-7-3-2-4-9(14)10(7)11(15)8(12)5-6-13/h2-4,8,11,13-15H,5-6,12H2,1H3
InChIKeyKMAYJSLTLLQMRO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol

2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol (PubChem CID 112717400) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
PubChem CID112717400
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol
SMILESCc1cccc(O)c1C(O)C(N)CCO
InChIInChI=1S/C11H17NO3/c1-7-3-2-4-9(14)10(7)11(15)8(12)5-6-13/h2-4,8,11,13-15H,5-6,12H2,1H3
InChIKeyKMAYJSLTLLQMRO-UHFFFAOYSA-N
XLogP0.44
TPSA86.71 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 ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
(1R)-1-(2-hydroxy-6-methylphenyl)ethane-1,2-diol
CID 162967922
3-chloro-1-(2-hydroxy-6-methylphenyl)propane-1,2-diol
CID 171861659
2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
2-amino-1-(2-chloro-6-fluorophenyl)butane-1,4-diol
CID 83925234
2-amino-1-(3-bromo-2-methylphenyl)butane-1,4-diol
CID 83925967
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
2-amino-1-(2-methoxy-6-methylphenyl)-4-(methylamino)butan-1-ol
CID 83923874
2-amino-1-(4-chloro-3-methylphenyl)butane-1,4-diol
CID 83937351

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol?
The IUPAC name of 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol (CID 112717400) is 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol?
The canonical SMILES for 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol is Cc1cccc(O)c1C(O)C(N)CCO.
What is the InChIKey of 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol?
The InChIKey is KMAYJSLTLLQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-3-2-4-9(14)10(7)11(15)8(12)5-6-13/h2-4,8,11,13-15H,5-6,12H2,1H3.
What are the key properties of 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol?
2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol has a molecular weight of 211.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxy-6-methylphenyl)butane-1,4-diol is sourced from PubChem (CID 112717400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).