1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone

C11H14O3 — CID 147717249

IUPAC1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
SMILESCCc1c(C(C)=O)ccc(O)c1OC
InChIInChI=1S/C11H14O3/c1-4-8-9(7(2)12)5-6-10(13)11(8)14-3/h5-6,13H,4H2,1-3H3
InChIKeyGVWFOUHVPLEUKW-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone

1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 147717249) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
PubChem CID147717249
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
SMILESCCc1c(C(C)=O)ccc(O)c1OC
InChIInChI=1S/C11H14O3/c1-4-8-9(7(2)12)5-6-10(13)11(8)14-3/h5-6,13H,4H2,1-3H3
InChIKeyGVWFOUHVPLEUKW-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-ethyl-4-hydroxy-3-methoxyphenyl)propylidene]propanedioic acid
CID 67319590
1-(4-hydroxy-2-methoxy-3-propylphenyl)ethanone
CID 18388441
(4-acetyl-3-ethyl-2-methoxyphenyl) ethaneperoxoate
CID 151587520
1-[3-ethyl-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171033840
4-acetyl-2-ethyl-3-methoxybenzonitrile
CID 131616329
CID 174529092
CID 174529092
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
[4-hydroxy-3-methoxy-2-(methoxymethyl)benzoyl] 4-hydroxy-3-methoxy-2-(methoxymethyl)benzoate
CID 145106296
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
1-[3-ethyl-4-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171033843
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone (CID 147717249) is 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone is CCc1c(C(C)=O)ccc(O)c1OC.
What is the InChIKey of 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is GVWFOUHVPLEUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-8-9(7(2)12)5-6-10(13)11(8)14-3/h5-6,13H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone?
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 147717249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).