2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane

C12H14Cl2O2 — CID 83957869

IUPAC2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(Cl)ccc2Cl)OCCO1
InChIInChI=1S/C12H14Cl2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3
InChIKeyYOECTYOYNFPKCF-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.99
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane

2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane (PubChem CID 83957869) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
PubChem CID83957869
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(Cl)ccc2Cl)OCCO1
InChIInChI=1S/C12H14Cl2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3
InChIKeyYOECTYOYNFPKCF-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane (CID 83957869) is 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(Cl)ccc2Cl)OCCO1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane?
The InChIKey is YOECTYOYNFPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane?
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane has a molecular weight of 261.15 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83957869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).