(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one

C28H26O4 — CID 57399347

IUPAC(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H26O4/c1-30-25-16-11-22(12-17-25)9-13-23-19-26(31-2)20-28(32-3)27(23)18-15-24(29)14-10-21-7-5-4-6-8-21/h4-20H,1-3H3/b13-9+,14-10+,18-15+
InChIKeyOLVFTSJLGPCCQV-RRUAPTDLSA-N
MW426.51 g/mol
LogP6.18
Rot. Bonds9

About (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one

(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one (PubChem CID 57399347) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one
PubChem CID57399347
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H26O4/c1-30-25-16-11-22(12-17-25)9-13-23-19-26(31-2)20-28(32-3)27(23)18-15-24(29)14-10-21-7-5-4-6-8-21/h4-20H,1-3H3/b13-9+,14-10+,18-15+
InChIKeyOLVFTSJLGPCCQV-RRUAPTDLSA-N
XLogP6.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one (CID 57399347) is (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one is COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
The InChIKey is OLVFTSJLGPCCQV-RRUAPTDLSA-N. The full InChI is InChI=1S/C28H26O4/c1-30-25-16-11-22(12-17-25)9-13-23-19-26(31-2)20-28(32-3)27(23)18-15-24(29)14-10-21-7-5-4-6-8-21/h4-20H,1-3H3/b13-9+,14-10+,18-15+.
What are the key properties of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one?
(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one has a molecular weight of 426.51 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 57399347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).