2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane

C17H25ClO4 — CID 83959353

IUPAC2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
SMILESCCCOc1cc(OCCC)c(C2(CC)OCCO2)cc1Cl
InChIInChI=1S/C17H25ClO4/c1-4-7-19-15-12-16(20-8-5-2)14(18)11-13(15)17(6-3)21-9-10-22-17/h11-12H,4-10H2,1-3H3
InChIKeyRDVGGYSVWVWNNN-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.53
Rot. Bonds8

About 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane

2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane (PubChem CID 83959353) has the molecular formula C17H25ClO4 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
PubChem CID83959353
Molecular FormulaC17H25ClO4
Molecular Weight328.84 g/mol
Exact Mass328.14
IUPAC Name2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
SMILESCCCOc1cc(OCCC)c(C2(CC)OCCO2)cc1Cl
InChIInChI=1S/C17H25ClO4/c1-4-7-19-15-12-16(20-8-5-2)14(18)11-13(15)17(6-3)21-9-10-22-17/h11-12H,4-10H2,1-3H3
InChIKeyRDVGGYSVWVWNNN-UHFFFAOYSA-N
XLogP4.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
CID 83958722
2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
CID 83958306
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
CID 83958152
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
CID 83949927
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
1-(5-chloro-2,4-dipropoxyphenyl)ethanol
CID 82268137
2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane
CID 83958789
6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83949882
N-(2,4-dichloro-5-propoxyphenyl)acetamide
CID 165356736
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
4-butoxy-5-chloro-2-methoxyaniline
CID 131848144
1-(4-chloro-2,5-dipropoxyphenyl)ethanamine
CID 82551629

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane (CID 83959353) is 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane is CCCOc1cc(OCCC)c(C2(CC)OCCO2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is RDVGGYSVWVWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO4/c1-4-7-19-15-12-16(20-8-5-2)14(18)11-13(15)17(6-3)21-9-10-22-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane?
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 328.84 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 83959353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).