2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane

C14H18Cl2O2 — CID 164706205

IUPAC2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCC1COC(c2ccc(Cl)cc2Cl)(C(C)C)O1
InChIInChI=1S/C14H18Cl2O2/c1-4-11-8-17-14(18-11,9(2)3)12-6-5-10(15)7-13(12)16/h5-7,9,11H,4,8H2,1-3H3
InChIKeyAGLCMGKZFMRELU-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.63
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane

2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 164706205) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
PubChem CID164706205
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane
SMILESCCC1COC(c2ccc(Cl)cc2Cl)(C(C)C)O1
InChIInChI=1S/C14H18Cl2O2/c1-4-11-8-17-14(18-11,9(2)3)12-6-5-10(15)7-13(12)16/h5-7,9,11H,4,8H2,1-3H3
InChIKeyAGLCMGKZFMRELU-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane (CID 164706205) is 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane is CCC1COC(c2ccc(Cl)cc2Cl)(C(C)C)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is AGLCMGKZFMRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-4-11-8-17-14(18-11,9(2)3)12-6-5-10(15)7-13(12)16/h5-7,9,11H,4,8H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane?
2-(2,4-dichlorophenyl)-4-ethyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 289.20 g/mol, XLogP of 4.63, 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)-4-ethyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 164706205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).