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

C11H13ClO2 — CID 83225095

IUPAC1-(3-chlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-3-14-11(8(2)13)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3
InChIKeyPTYRYLVAWMBKMU-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.01
Rot. Bonds4

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

1-(3-chlorophenyl)-1-ethoxypropan-2-one (PubChem CID 83225095) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-ethoxypropan-2-one
PubChem CID83225095
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name1-(3-chlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO2/c1-3-14-11(8(2)13)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3
InChIKeyPTYRYLVAWMBKMU-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 83226646
1-(2-bromo-4-chlorophenyl)-1-ethoxypropan-2-one
CID 83225478
1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
CID 83225605
1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
CID 83226180
1-(3,5-dimethylphenyl)-1-ethoxypropan-2-one
CID 83224960
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
[1-(3-chlorophenyl)-2-oxopentyl] butanoate
CID 102378022
2-(3-chlorophenyl)-3-oxobutanoic acid
CID 118537968
ethyl (3S)-3-amino-3-(3-chlorophenyl)-2-fluoropropanoate
CID 171246110
ethyl 2-[(3-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 62396786
ethyl 2-(3-acetylphenyl)-2-ethoxyacetate
CID 174723952
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-ethoxypropan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-1-ethoxypropan-2-one (CID 83225095) is 1-(3-chlorophenyl)-1-ethoxypropan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-1-ethoxypropan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-1-ethoxypropan-2-one is CCOC(C(C)=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-ethoxypropan-2-one?
The InChIKey is PTYRYLVAWMBKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-3-14-11(8(2)13)9-5-4-6-10(12)7-9/h4-7,11H,3H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-ethoxypropan-2-one?
1-(3-chlorophenyl)-1-ethoxypropan-2-one has a molecular weight of 212.68 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-ethoxypropan-2-one is sourced from PubChem (CID 83225095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).