2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole

C13H14Cl2O2 — CID 154641414

IUPAC2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole
SMILESCCCC1=COC(C)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H14Cl2O2/c1-3-4-10-8-16-13(2,17-10)11-6-5-9(14)7-12(11)15/h5-8H,3-4H2,1-2H3
InChIKeyQIFDGDVZQWQJFR-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.85
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole

2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole (PubChem CID 154641414) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole
PubChem CID154641414
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Name2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole
SMILESCCCC1=COC(C)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C13H14Cl2O2/c1-3-4-10-8-16-13(2,17-10)11-6-5-9(14)7-12(11)15/h5-8H,3-4H2,1-2H3
InChIKeyQIFDGDVZQWQJFR-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
5-(2,4-dichlorophenyl)-5-ethyl-1,3-oxazolidine-2,4-dione
CID 82098501
1-(2,4-dichlorophenyl)-3,3-diethylcyclobutan-1-amine
CID 65004014
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
CID 143933612
4-chloro-2-propylaniline
CID 23348961
methyl 3-(2,4-dichlorophenyl)-2,3-dimethyloxirane-2-carboxylate
CID 66436974
(2R)-2-(2,4-dichlorophenyl)-2-propan-2-yloxirane
CID 173217584
[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
CID 65013516
5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride
CID 82916014
3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
CID 116864111
1-[2-(2,4-dichlorophenyl)-2,3,3-trimethylcyclopropyl]-N-methylmethanamine
CID 114229448
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole (CID 154641414) is 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole is CCCC1=COC(C)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole?
The InChIKey is QIFDGDVZQWQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c1-3-4-10-8-16-13(2,17-10)11-6-5-9(14)7-12(11)15/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole?
2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole has a molecular weight of 273.16 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methyl-4-propyl-1,3-dioxole is sourced from PubChem (CID 154641414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).