1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one

C11H14O3 — CID 162821469

IUPAC1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
SMILESCCC(=O)c1cc(O)c(C)c(OC)c1
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-10(13)7(2)11(6-8)14-3/h5-6,13H,4H2,1-3H3
InChIKeyZVDOOQXFMFRNTC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one

1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one (PubChem CID 162821469) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
PubChem CID162821469
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
SMILESCCC(=O)c1cc(O)c(C)c(OC)c1
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-10(13)7(2)11(6-8)14-3/h5-6,13H,4H2,1-3H3
InChIKeyZVDOOQXFMFRNTC-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
CID 169409378
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
3-amino-1-(3-methoxy-4,5-dimethylphenyl)propan-1-one
CID 117295954
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
1-(4-bromo-3-hydroxy-5-methoxyphenyl)-2-chloroethanone
CID 171006836
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
1-(4-ethoxy-3-methoxy-5-nitrophenyl)propan-1-one
CID 112720297
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
CID 91657177

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one (CID 162821469) is 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one is CCC(=O)c1cc(O)c(C)c(OC)c1.
What is the InChIKey of 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one?
The InChIKey is ZVDOOQXFMFRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-9(12)8-5-10(13)7(2)11(6-8)14-3/h5-6,13H,4H2,1-3H3.
What are the key properties of 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one?
1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one is sourced from PubChem (CID 162821469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).