2-amino-1-(2-hydroxy-5-methylphenyl)ethanone

C9H11NO2 — CID 82596779

IUPAC2-amino-1-(2-hydroxy-5-methylphenyl)ethanone
SMILESCc1ccc(O)c(C(=O)CN)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4,11H,5,10H2,1H3
InChIKeyBGGDHAIHECHYHW-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.84
Rot. Bonds2

About 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone

2-amino-1-(2-hydroxy-5-methylphenyl)ethanone (PubChem CID 82596779) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hydroxy-5-methylphenyl)ethanone
PubChem CID82596779
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-amino-1-(2-hydroxy-5-methylphenyl)ethanone
SMILESCc1ccc(O)c(C(=O)CN)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4,11H,5,10H2,1H3
InChIKeyBGGDHAIHECHYHW-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone (CID 82596779) is 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone is Cc1ccc(O)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone?
The InChIKey is BGGDHAIHECHYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4,11H,5,10H2,1H3.
What are the key properties of 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone?
2-amino-1-(2-hydroxy-5-methylphenyl)ethanone has a molecular weight of 165.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 82596779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).