2-amino-1-(3-hydroxyphenyl)propan-1-one

C9H11NO2 — CID 22601035

IUPAC2-amino-1-(3-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1cccc(O)c1
InChIInChI=1S/C9H11NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,11H,10H2,1H3
InChIKeyOIHAQYRJHHWTGP-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.92
Rot. Bonds2

About 2-amino-1-(3-hydroxyphenyl)propan-1-one

2-amino-1-(3-hydroxyphenyl)propan-1-one (PubChem CID 22601035) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxyphenyl)propan-1-one
PubChem CID22601035
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-amino-1-(3-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1cccc(O)c1
InChIInChI=1S/C9H11NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,11H,10H2,1H3
InChIKeyOIHAQYRJHHWTGP-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxyphenyl)propan-1-one (CID 22601035) is 2-amino-1-(3-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxyphenyl)propan-1-one is CC(N)C(=O)c1cccc(O)c1.
What is the InChIKey of 2-amino-1-(3-hydroxyphenyl)propan-1-one?
The InChIKey is OIHAQYRJHHWTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,11H,10H2,1H3.
What are the key properties of 2-amino-1-(3-hydroxyphenyl)propan-1-one?
2-amino-1-(3-hydroxyphenyl)propan-1-one has a molecular weight of 165.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 22601035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).