2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane

C16H23ClO3 — CID 83958789

IUPAC2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane
SMILESCCOc1c(C(C)C)cc(Cl)cc1C1(CC)OCCO1
InChIInChI=1S/C16H23ClO3/c1-5-16(19-7-8-20-16)14-10-12(17)9-13(11(3)4)15(14)18-6-2/h9-11H,5-8H2,1-4H3
InChIKeyMMDAWUDCVKSFAQ-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.47
Rot. Bonds5

About 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane

2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane (PubChem CID 83958789) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane
PubChem CID83958789
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Name2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane
SMILESCCOc1c(C(C)C)cc(Cl)cc1C1(CC)OCCO1
InChIInChI=1S/C16H23ClO3/c1-5-16(19-7-8-20-16)14-10-12(17)9-13(11(3)4)15(14)18-6-2/h9-11H,5-8H2,1-4H3
InChIKeyMMDAWUDCVKSFAQ-UHFFFAOYSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane (CID 83958789) is 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane is CCOc1c(C(C)C)cc(Cl)cc1C1(CC)OCCO1.
What is the InChIKey of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is MMDAWUDCVKSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-5-16(19-7-8-20-16)14-10-12(17)9-13(11(3)4)15(14)18-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane?
2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 298.81 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 83958789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).