2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane

C17H15BrO2 — CID 54611351

IUPAC2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
SMILESBrc1ccccc1/C=C\C1(c2ccccc2)OCCO1
InChIInChI=1S/C17H15BrO2/c18-16-9-5-4-6-14(16)10-11-17(19-12-13-20-17)15-7-2-1-3-8-15/h1-11H,12-13H2/b11-10-
InChIKeyFJZFNDZAOAMIOQ-KHPPLWFESA-N
MW331.21 g/mol
LogP4.36
Rot. Bonds3

About 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane

2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane (PubChem CID 54611351) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
PubChem CID54611351
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
SMILESBrc1ccccc1/C=C\C1(c2ccccc2)OCCO1
InChIInChI=1S/C17H15BrO2/c18-16-9-5-4-6-14(16)10-11-17(19-12-13-20-17)15-7-2-1-3-8-15/h1-11H,12-13H2/b11-10-
InChIKeyFJZFNDZAOAMIOQ-KHPPLWFESA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane (CID 54611351) is 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane is Brc1ccccc1/C=C\C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane?
The InChIKey is FJZFNDZAOAMIOQ-KHPPLWFESA-N. The full InChI is InChI=1S/C17H15BrO2/c18-16-9-5-4-6-14(16)10-11-17(19-12-13-20-17)15-7-2-1-3-8-15/h1-11H,12-13H2/b11-10-.
What are the key properties of 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane?
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane has a molecular weight of 331.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 54611351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).