1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one

C13H16O3 — CID 71333475

IUPAC1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(C(=O)CC)c1O
InChIInChI=1S/C13H16O3/c1-4-11(14)9-6-8(3)7-10(13(9)16)12(15)5-2/h6-7,16H,4-5H2,1-3H3
InChIKeyOUNLSIYMHUJIOV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one

1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one (PubChem CID 71333475) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
PubChem CID71333475
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(C(=O)CC)c1O
InChIInChI=1S/C13H16O3/c1-4-11(14)9-6-8(3)7-10(13(9)16)12(15)5-2/h6-7,16H,4-5H2,1-3H3
InChIKeyOUNLSIYMHUJIOV-UHFFFAOYSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one?
The IUPAC name of 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one (CID 71333475) is 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one is CCC(=O)c1cc(C)cc(C(=O)CC)c1O.
What is the InChIKey of 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one?
The InChIKey is OUNLSIYMHUJIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-11(14)9-6-8(3)7-10(13(9)16)12(15)5-2/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one?
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one is sourced from PubChem (CID 71333475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).