1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one

C11H14O3 — CID 15267102

IUPAC1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(O)c(C(=O)C(C)C)c1
InChIInChI=1S/C11H14O3/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyDUHCDUZBOQGTST-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one

1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 15267102) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
PubChem CID15267102
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(O)c(C(=O)C(C)C)c1
InChIInChI=1S/C11H14O3/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3
InChIKeyDUHCDUZBOQGTST-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 58728327
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 7429908
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one (CID 15267102) is 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(O)c(C(=O)C(C)C)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is DUHCDUZBOQGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7,12H,1-3H3.
What are the key properties of 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one?
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 194.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 15267102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).