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

C16H16O2 — CID 170874299

IUPAC2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane
SMILESCc1ccc(-c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C16H16O2/c1-12-5-7-13(8-6-12)14-3-2-4-15(11-14)16-17-9-10-18-16/h2-8,11,16H,9-10H2,1H3
InChIKeyKZILGQLRZHNKRU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.71
Rot. Bonds2

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

2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane (PubChem CID 170874299) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane
PubChem CID170874299
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane
SMILESCc1ccc(-c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C16H16O2/c1-12-5-7-13(8-6-12)14-3-2-4-15(11-14)16-17-9-10-18-16/h2-8,11,16H,9-10H2,1H3
InChIKeyKZILGQLRZHNKRU-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane (CID 170874299) is 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane is Cc1ccc(-c2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane?
The InChIKey is KZILGQLRZHNKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-5-7-13(8-6-12)14-3-2-4-15(11-14)16-17-9-10-18-16/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane?
2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane has a molecular weight of 240.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 170874299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).