1-(4-amino-2-hydroxy-3-propylphenyl)ethanone

C11H15NO2 — CID 13463080

IUPAC1-(4-amino-2-hydroxy-3-propylphenyl)ethanone
SMILESCCCc1c(N)ccc(C(C)=O)c1O
InChIInChI=1S/C11H15NO2/c1-3-4-9-10(12)6-5-8(7(2)13)11(9)14/h5-6,14H,3-4,12H2,1-2H3
InChIKeyXPNYJCJVAVZWSK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone

1-(4-amino-2-hydroxy-3-propylphenyl)ethanone (PubChem CID 13463080) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-hydroxy-3-propylphenyl)ethanone
PubChem CID13463080
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(4-amino-2-hydroxy-3-propylphenyl)ethanone
SMILESCCCc1c(N)ccc(C(C)=O)c1O
InChIInChI=1S/C11H15NO2/c1-3-4-9-10(12)6-5-8(7(2)13)11(9)14/h5-6,14H,3-4,12H2,1-2H3
InChIKeyXPNYJCJVAVZWSK-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone (CID 13463080) is 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone is CCCc1c(N)ccc(C(C)=O)c1O.
What is the InChIKey of 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone?
The InChIKey is XPNYJCJVAVZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-9-10(12)6-5-8(7(2)13)11(9)14/h5-6,14H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone?
1-(4-amino-2-hydroxy-3-propylphenyl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-hydroxy-3-propylphenyl)ethanone is sourced from PubChem (CID 13463080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).