2-(1-phenylpropyl)-1,3-dioxolane

C12H16O2 — CID 14365156

IUPAC2-(1-phenylpropyl)-1,3-dioxolane
SMILESCCC(c1ccccc1)C1OCCO1
InChIInChI=1S/C12H16O2/c1-2-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyXMSKGQQVIGMFCK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-phenylpropyl)-1,3-dioxolane

2-(1-phenylpropyl)-1,3-dioxolane (PubChem CID 14365156) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(1-phenylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-phenylpropyl)-1,3-dioxolane
PubChem CID14365156
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(1-phenylpropyl)-1,3-dioxolane
SMILESCCC(c1ccccc1)C1OCCO1
InChIInChI=1S/C12H16O2/c1-2-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyXMSKGQQVIGMFCK-UHFFFAOYSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropyl)-1,3-dioxolane?
The IUPAC name of 2-(1-phenylpropyl)-1,3-dioxolane (CID 14365156) is 2-(1-phenylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1-phenylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-(1-phenylpropyl)-1,3-dioxolane is CCC(c1ccccc1)C1OCCO1.
What is the InChIKey of 2-(1-phenylpropyl)-1,3-dioxolane?
The InChIKey is XMSKGQQVIGMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 2-(1-phenylpropyl)-1,3-dioxolane?
2-(1-phenylpropyl)-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropyl)-1,3-dioxolane is sourced from PubChem (CID 14365156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).