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

C17H16O2 — CID 170873890

IUPAC2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
SMILESC(=C/c1ccc(C2OCCO2)cc1)\c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h1-11,17H,12-13H2/b7-6+
InChIKeyNSBQWKJBADQGPD-VOTSOKGWSA-N
MW252.31 g/mol
LogP3.90
Rot. Bonds3

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

2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane (PubChem CID 170873890) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
PubChem CID170873890
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
SMILESC(=C/c1ccc(C2OCCO2)cc1)\c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h1-11,17H,12-13H2/b7-6+
InChIKeyNSBQWKJBADQGPD-VOTSOKGWSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane (CID 170873890) is 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane is C(=C/c1ccc(C2OCCO2)cc1)\c1ccccc1.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane?
The InChIKey is NSBQWKJBADQGPD-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-4-14(5-3-1)6-7-15-8-10-16(11-9-15)17-18-12-13-19-17/h1-11,17H,12-13H2/b7-6+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane?
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane has a molecular weight of 252.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 170873890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).