2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone

C11H15NO4 — CID 170860723

IUPAC2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
SMILESCC(O)COc1ccc(C(=O)CN)c(O)c1
InChIInChI=1S/C11H15NO4/c1-7(13)6-16-8-2-3-9(10(14)4-8)11(15)5-12/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyCCXFAIJDLVOVRE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone

2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone (PubChem CID 170860723) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
PubChem CID170860723
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
SMILESCC(O)COc1ccc(C(=O)CN)c(O)c1
InChIInChI=1S/C11H15NO4/c1-7(13)6-16-8-2-3-9(10(14)4-8)11(15)5-12/h2-4,7,13-14H,5-6,12H2,1H3
InChIKeyCCXFAIJDLVOVRE-UHFFFAOYSA-N
XLogP0.29
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone (CID 170860723) is 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone is CC(O)COc1ccc(C(=O)CN)c(O)c1.
What is the InChIKey of 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone?
The InChIKey is CCXFAIJDLVOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(13)6-16-8-2-3-9(10(14)4-8)11(15)5-12/h2-4,7,13-14H,5-6,12H2,1H3.
What are the key properties of 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone?
2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone has a molecular weight of 225.24 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone is sourced from PubChem (CID 170860723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).