5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one

C26H24O3 — CID 102174292

IUPAC5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one
SMILESCOc1ccc(C(=C=C(C(C)=O)C(OC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24O3/c1-19(27)24(26(29-3)22-12-8-5-9-13-22)18-25(20-10-6-4-7-11-20)21-14-16-23(28-2)17-15-21/h4-17,26H,1-3H3
InChIKeyTWHZVPISXZTNPX-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.63
Rot. Bonds7

About 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one

5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one (PubChem CID 102174292) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one
PubChem CID102174292
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one
SMILESCOc1ccc(C(=C=C(C(C)=O)C(OC)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24O3/c1-19(27)24(26(29-3)22-12-8-5-9-13-22)18-25(20-10-6-4-7-11-20)21-14-16-23(28-2)17-15-21/h4-17,26H,1-3H3
InChIKeyTWHZVPISXZTNPX-UHFFFAOYSA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.63
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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Related Compounds

3-[methoxy(phenyl)methyl]-5-(4-nitrophenyl)-5-phenylpenta-3,4-dien-2-one
CID 46185510
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
CID 7079593
[4-(1-methoxy-2-oxo-2-phenylethyl)phenyl] 2-methylprop-2-enoate
CID 100944604
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one (CID 102174292) is 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one is COc1ccc(C(=C=C(C(C)=O)C(OC)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one?
The InChIKey is TWHZVPISXZTNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-19(27)24(26(29-3)22-12-8-5-9-13-22)18-25(20-10-6-4-7-11-20)21-14-16-23(28-2)17-15-21/h4-17,26H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one?
5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one has a molecular weight of 384.48 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[methoxy(phenyl)methyl]-5-phenylpenta-3,4-dien-2-one is sourced from PubChem (CID 102174292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).