1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one

C12H16O3 — CID 13287046

IUPAC1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(OC)c(C)c1O
InChIInChI=1S/C12H16O3/c1-4-5-10(13)9-6-7-11(15-3)8(2)12(9)14/h6-7,14H,4-5H2,1-3H3
InChIKeyCKKTUFCJBGEFJQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.69
Rot. Bonds4

About 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one

1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one (PubChem CID 13287046) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
PubChem CID13287046
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
SMILESCCCC(=O)c1ccc(OC)c(C)c1O
InChIInChI=1S/C12H16O3/c1-4-5-10(13)9-6-7-11(15-3)8(2)12(9)14/h6-7,14H,4-5H2,1-3H3
InChIKeyCKKTUFCJBGEFJQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-4-(4-butanoyl-3-hydroxy-2-methylphenoxy)but-2-enoxy]-3-methoxybenzoic acid
CID 168958353
4-[(E)-4-(4-butanoyl-3-hydroxy-2-methylphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 168958504
3-[5-(4-butanoyl-3-hydroxy-2-methylphenoxy)pentoxy]-2-methylbenzoic acid
CID 168958478
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
3,6-dimethoxy-2-methylphenol
CID 13158257
1-(2,4-dihydroxy-3-methylphenyl)pentan-1-one
CID 131700078
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
4-(2-chloro-4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 21483945

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one?
The IUPAC name of 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one (CID 13287046) is 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one?
The canonical SMILES for 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one is CCCC(=O)c1ccc(OC)c(C)c1O.
What is the InChIKey of 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one?
The InChIKey is CKKTUFCJBGEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-5-10(13)9-6-7-11(15-3)8(2)12(9)14/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one?
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one is sourced from PubChem (CID 13287046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).