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

C30H30O6 — CID 134147000

IUPAC(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C30H30O6/c1-32-25-14-7-21(8-15-25)6-9-23-18-27(34-3)20-30(36-5)28(23)17-13-24(31)12-10-22-11-16-26(33-2)19-29(22)35-4/h6-20H,1-5H3/b9-6+,12-10+,17-13+
InChIKeyLJFZVCJBMMSOCZ-FBCNYWNOSA-N
MW486.56 g/mol
LogP6.20
Rot. Bonds11

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

(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one (PubChem CID 134147000) has the molecular formula C30H30O6 and a molecular weight of 486.56 g/mol. Its IUPAC name is (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
PubChem CID134147000
Molecular FormulaC30H30O6
Molecular Weight486.56 g/mol
Exact Mass486.20
IUPAC Name(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C30H30O6/c1-32-25-14-7-21(8-15-25)6-9-23-18-27(34-3)20-30(36-5)28(23)17-13-24(31)12-10-22-11-16-26(33-2)19-29(22)35-4/h6-20H,1-5H3/b9-6+,12-10+,17-13+
InChIKeyLJFZVCJBMMSOCZ-FBCNYWNOSA-N
XLogP6.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one (CID 134147000) is (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-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-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one is COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)/C=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one?
The InChIKey is LJFZVCJBMMSOCZ-FBCNYWNOSA-N. The full InChI is InChI=1S/C30H30O6/c1-32-25-14-7-21(8-15-25)6-9-23-18-27(34-3)20-30(36-5)28(23)17-13-24(31)12-10-22-11-16-26(33-2)19-29(22)35-4/h6-20H,1-5H3/b9-6+,12-10+,17-13+.
What are the key properties of (1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one has a molecular weight of 486.56 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 134147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).