1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one

C11H12Cl2O2 — CID 83226646

IUPAC1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-3-15-11(7(2)14)9-5-4-8(12)6-10(9)13/h4-6,11H,3H2,1-2H3
InChIKeyWPINYYJJHKWWQD-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one

1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one (PubChem CID 83226646) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
PubChem CID83226646
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
SMILESCCOC(C(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2/c1-3-15-11(7(2)14)9-5-4-8(12)6-10(9)13/h4-6,11H,3H2,1-2H3
InChIKeyWPINYYJJHKWWQD-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-1-ethoxypropan-2-one
CID 83225478
1-(3-chlorophenyl)-1-ethoxypropan-2-one
CID 83225095
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101
1-(2-bromo-5-chlorophenyl)-1-propoxypropan-2-one
CID 83226422
2-(2,4-dichlorophenyl)-2-ethoxy-N-quinolin-3-ylacetamide
CID 127036258
ethyl 4-chloro-4-(2,4-dichlorophenyl)butanoate
CID 82366891
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807
2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride
CID 67868356
2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
1-(3-bromo-4-fluorophenyl)-1-ethoxypropan-2-one
CID 83225605
1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
CID 83224628
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one (CID 83226646) is 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one is CCOC(C(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
The InChIKey is WPINYYJJHKWWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-3-15-11(7(2)14)9-5-4-8(12)6-10(9)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one?
1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one has a molecular weight of 247.12 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one is sourced from PubChem (CID 83226646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).