1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one

C18H16O3 — CID 143124468

IUPAC1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccc(C2OCCO2)cc1)c1ccccc1
InChIInChI=1S/C18H16O3/c1-13(14-5-3-2-4-6-14)17(19)15-7-9-16(10-8-15)18-20-11-12-21-18/h2-10,18H,1,11-12H2
InChIKeyPSSHTDGKUFVIFN-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.63
Rot. Bonds4

About 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one

1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one (PubChem CID 143124468) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one
PubChem CID143124468
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one
SMILESC=C(C(=O)c1ccc(C2OCCO2)cc1)c1ccccc1
InChIInChI=1S/C18H16O3/c1-13(14-5-3-2-4-6-14)17(19)15-7-9-16(10-8-15)18-20-11-12-21-18/h2-10,18H,1,11-12H2
InChIKeyPSSHTDGKUFVIFN-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one?
The IUPAC name of 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one (CID 143124468) is 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one?
The canonical SMILES for 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one is C=C(C(=O)c1ccc(C2OCCO2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one?
The InChIKey is PSSHTDGKUFVIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-13(14-5-3-2-4-6-14)17(19)15-7-9-16(10-8-15)18-20-11-12-21-18/h2-10,18H,1,11-12H2.
What are the key properties of 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one?
1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one has a molecular weight of 280.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylprop-2-en-1-one is sourced from PubChem (CID 143124468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).