2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane

C12H14O4 — CID 3128962

IUPAC2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)ccc1C1OCCO1
InChIInChI=1S/C12H14O4/c1-2-10(12-15-7-8-16-12)4-3-9(1)11-13-5-6-14-11/h1-4,11-12H,5-8H2
InChIKeyKFYUAUKBIGISTN-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.78
Rot. Bonds2

About 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane

2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane (PubChem CID 3128962) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane
PubChem CID3128962
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane
SMILESc1cc(C2OCCO2)ccc1C1OCCO1
InChIInChI=1S/C12H14O4/c1-2-10(12-15-7-8-16-12)4-3-9(1)11-13-5-6-14-11/h1-4,11-12H,5-8H2
InChIKeyKFYUAUKBIGISTN-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane (CID 3128962) is 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane is c1cc(C2OCCO2)ccc1C1OCCO1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane?
The InChIKey is KFYUAUKBIGISTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-10(12-15-7-8-16-12)4-3-9(1)11-13-5-6-14-11/h1-4,11-12H,5-8H2.
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane?
2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane has a molecular weight of 222.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 3128962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).