1-(3-ethoxyphenyl)ethanone

C10H12O2 — CID 3770250

IUPAC1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3
InChIKeyRUWWFEHTGUJEDT-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.29
Rot. Bonds3

About 1-(3-ethoxyphenyl)ethanone

1-(3-ethoxyphenyl)ethanone (PubChem CID 3770250) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)ethanone
PubChem CID3770250
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(3-ethoxyphenyl)ethanone
SMILESCCOc1cccc(C(C)=O)c1
InChIInChI=1S/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3
InChIKeyRUWWFEHTGUJEDT-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)ethanone?
The IUPAC name of 1-(3-ethoxyphenyl)ethanone (CID 3770250) is 1-(3-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-ethoxyphenyl)ethanone is CCOc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)ethanone?
The InChIKey is RUWWFEHTGUJEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-7H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)ethanone?
1-(3-ethoxyphenyl)ethanone has a molecular weight of 164.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)ethanone is sourced from PubChem (CID 3770250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).