1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone

C11H14O3 — CID 173353549

IUPAC1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
SMILESCOCC(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O3/c1-8(12)9-3-5-10(6-4-9)11(13)7-14-2/h3-6,11,13H,7H2,1-2H3
InChIKeyZOENDFVHEUGRDW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.57
Rot. Bonds4

About 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone

1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone (PubChem CID 173353549) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
PubChem CID173353549
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
SMILESCOCC(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C11H14O3/c1-8(12)9-3-5-10(6-4-9)11(13)7-14-2/h3-6,11,13H,7H2,1-2H3
InChIKeyZOENDFVHEUGRDW-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
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1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
1-[4-[(2R)-1-hydroperoxypropan-2-yl]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone (CID 173353549) is 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone is COCC(O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone?
The InChIKey is ZOENDFVHEUGRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)9-3-5-10(6-4-9)11(13)7-14-2/h3-6,11,13H,7H2,1-2H3.
What are the key properties of 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone?
1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone is sourced from PubChem (CID 173353549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).