(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one

C26H25NO2 — CID 52936807

IUPAC(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-27(2)24-14-8-21(9-15-24)10-16-25(28)17-11-22-12-18-26(19-13-22)29-20-23-6-4-3-5-7-23/h3-19H,20H2,1-2H3/b16-10+,17-11+
InChIKeyIRVBZCHCGRPOGB-OTYYAQKOSA-N
MW383.49 g/mol
LogP5.63
Rot. Bonds8

About (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one (PubChem CID 52936807) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
PubChem CID52936807
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
SMILESCN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-27(2)24-14-8-21(9-15-24)10-16-25(28)17-11-22-12-18-26(19-13-22)29-20-23-6-4-3-5-7-23/h3-19H,20H2,1-2H3/b16-10+,17-11+
InChIKeyIRVBZCHCGRPOGB-OTYYAQKOSA-N
XLogP5.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one (CID 52936807) is (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one is CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one?
The InChIKey is IRVBZCHCGRPOGB-OTYYAQKOSA-N. The full InChI is InChI=1S/C26H25NO2/c1-27(2)24-14-8-21(9-15-24)10-16-25(28)17-11-22-12-18-26(19-13-22)29-20-23-6-4-3-5-7-23/h3-19H,20H2,1-2H3/b16-10+,17-11+.
What are the key properties of (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one?
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one has a molecular weight of 383.49 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(4-phenylmethoxyphenyl)penta-1,4-dien-3-one is sourced from PubChem (CID 52936807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).