1-(2-ethoxy-6-hydroxyphenyl)ethanone

C10H12O3 — CID 4120026

IUPAC1-(2-ethoxy-6-hydroxyphenyl)ethanone
SMILESCCOc1cccc(O)c1C(C)=O
InChIInChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(12)10(9)7(2)11/h4-6,12H,3H2,1-2H3
InChIKeyFXKOWMXEFZGVHC-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-ethoxy-6-hydroxyphenyl)ethanone

1-(2-ethoxy-6-hydroxyphenyl)ethanone (PubChem CID 4120026) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(2-ethoxy-6-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-6-hydroxyphenyl)ethanone
PubChem CID4120026
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(2-ethoxy-6-hydroxyphenyl)ethanone
SMILESCCOc1cccc(O)c1C(C)=O
InChIInChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(12)10(9)7(2)11/h4-6,12H,3H2,1-2H3
InChIKeyFXKOWMXEFZGVHC-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-6-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-6-hydroxyphenyl)ethanone (CID 4120026) is 1-(2-ethoxy-6-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-6-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-6-hydroxyphenyl)ethanone is CCOc1cccc(O)c1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-6-hydroxyphenyl)ethanone?
The InChIKey is FXKOWMXEFZGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(12)10(9)7(2)11/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-6-hydroxyphenyl)ethanone?
1-(2-ethoxy-6-hydroxyphenyl)ethanone has a molecular weight of 180.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-hydroxyphenyl)ethanone is sourced from PubChem (CID 4120026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).