1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one

C12H12Cl2O3 — CID 103543640

IUPAC1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)CC1OCCO1
InChIInChI=1S/C12H12Cl2O3/c13-9-2-1-8(11(14)6-9)5-10(15)7-12-16-3-4-17-12/h1-2,6,12H,3-5,7H2
InChIKeyKMAQETSRONZYCK-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.87
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one

1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one (PubChem CID 103543640) has the molecular formula C12H12Cl2O3 and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
PubChem CID103543640
Molecular FormulaC12H12Cl2O3
Molecular Weight275.13 g/mol
Exact Mass274.02
IUPAC Name1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1Cl)CC1OCCO1
InChIInChI=1S/C12H12Cl2O3/c13-9-2-1-8(11(14)6-9)5-10(15)7-12-16-3-4-17-12/h1-2,6,12H,3-5,7H2
InChIKeyKMAQETSRONZYCK-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543612
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
1-(1,3-dioxolan-2-yl)-3-(4-iodophenyl)propan-2-one
CID 103543700
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-one
CID 106867100
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204
1-(2,4-dichlorophenyl)-4-methoxybutan-2-one
CID 62621708
7-amino-1-(2,4-dichlorophenyl)heptan-2-one
CID 116549900

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one (CID 103543640) is 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one is O=C(Cc1ccc(Cl)cc1Cl)CC1OCCO1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one?
The InChIKey is KMAQETSRONZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3/c13-9-2-1-8(11(14)6-9)5-10(15)7-12-16-3-4-17-12/h1-2,6,12H,3-5,7H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one?
1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one has a molecular weight of 275.13 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one is sourced from PubChem (CID 103543640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).