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

C11H14O3 — CID 91750719

IUPAC1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(O)c(OC)c1C
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13)11(14-3)7(8)2/h5-6,13H,4H2,1-3H3
InChIKeyITMQIDBFFCXSCX-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds3

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

1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one (PubChem CID 91750719) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
PubChem CID91750719
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(O)c(OC)c1C
InChIInChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13)11(14-3)7(8)2/h5-6,13H,4H2,1-3H3
InChIKeyITMQIDBFFCXSCX-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-[2-methoxy-3-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 159661681
1-[2-methyl-3,4-di(propanoyl)phenyl]propan-1-one
CID 54496019
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
CID 53318156
[4-hydroxy-3-methoxy-2-(methoxymethyl)benzoyl] 4-hydroxy-3-methoxy-2-(methoxymethyl)benzoate
CID 145106296
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
2-[1-(2-ethyl-4-hydroxy-3-methoxyphenyl)propylidene]propanedioic acid
CID 67319590
4-chloro-2-methoxy-3-methylphenol
CID 124706065
2,3-dimethoxy-4-methylphenol;propane
CID 143012581

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one (CID 91750719) is 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one is CCC(=O)c1ccc(O)c(OC)c1C.
What is the InChIKey of 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one?
The InChIKey is ITMQIDBFFCXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13)11(14-3)7(8)2/h5-6,13H,4H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one?
1-(4-hydroxy-3-methoxy-2-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-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 91750719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).