1-(3-chlorophenoxy)-3-ethoxypropan-2-one

C11H13ClO3 — CID 114553807

IUPAC1-(3-chlorophenoxy)-3-ethoxypropan-2-one
SMILESCCOCC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6H,2,7-8H2,1H3
InChIKeyGLWZPSAYGGDASW-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.32
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-ethoxypropan-2-one

1-(3-chlorophenoxy)-3-ethoxypropan-2-one (PubChem CID 114553807) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-ethoxypropan-2-one
PubChem CID114553807
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Name1-(3-chlorophenoxy)-3-ethoxypropan-2-one
SMILESCCOCC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6H,2,7-8H2,1H3
InChIKeyGLWZPSAYGGDASW-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
1-(3-chlorophenoxy)-4-ethyloctan-2-one
CID 105082041
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
1-(3-chlorophenoxy)-4-cyclopropylbutan-2-one
CID 105107899
N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 104555981
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
1-(3-chlorophenyl)-2-(ethoxymethyl)prop-2-en-1-one
CID 164761370
(E)-4-(3-chlorophenoxy)-3-methylbut-2-enoic acid
CID 63775220
1-(3-chlorophenoxy)hept-6-en-2-one
CID 105104316
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-ethoxypropan-2-one?
The IUPAC name of 1-(3-chlorophenoxy)-3-ethoxypropan-2-one (CID 114553807) is 1-(3-chlorophenoxy)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(3-chlorophenoxy)-3-ethoxypropan-2-one is CCOCC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-ethoxypropan-2-one?
The InChIKey is GLWZPSAYGGDASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-2-14-7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-ethoxypropan-2-one?
1-(3-chlorophenoxy)-3-ethoxypropan-2-one has a molecular weight of 228.68 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-ethoxypropan-2-one is sourced from PubChem (CID 114553807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).