(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one

C15H16O3 — CID 19803035

IUPAC(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCC1(C(=O)/C=C/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C15H16O3/c1-15(17-11-12-18-15)14(16)10-6-5-9-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b9-5+,10-6+
InChIKeySTBZXWFTVAQEAQ-NXZHAISVSA-N
MW244.29 g/mol
LogP2.59
Rot. Bonds4

About (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one

(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 19803035) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one
PubChem CID19803035
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCC1(C(=O)/C=C/C=C/c2ccccc2)OCCO1
InChIInChI=1S/C15H16O3/c1-15(17-11-12-18-15)14(16)10-6-5-9-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b9-5+,10-6+
InChIKeySTBZXWFTVAQEAQ-NXZHAISVSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one (CID 19803035) is (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one is CC1(C(=O)/C=C/C=C/c2ccccc2)OCCO1.
What is the InChIKey of (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is STBZXWFTVAQEAQ-NXZHAISVSA-N. The full InChI is InChI=1S/C15H16O3/c1-15(17-11-12-18-15)14(16)10-6-5-9-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3/b9-5+,10-6+.
What are the key properties of (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one?
(2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(2-methyl-1,3-dioxolan-2-yl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 19803035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).