1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone

C20H23NO2 — CID 134932432

IUPAC1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C(\OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-16(22)18-11-9-17(10-12-18)15-20(23-14-13-21(2)3)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3/b20-15-
InChIKeyPDGKWXYNHIDMOO-HKWRFOASSA-N
MW309.41 g/mol
LogP3.97
Rot. Bonds7

About 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone

1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone (PubChem CID 134932432) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone
PubChem CID134932432
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C(\OCCN(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-16(22)18-11-9-17(10-12-18)15-20(23-14-13-21(2)3)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3/b20-15-
InChIKeyPDGKWXYNHIDMOO-HKWRFOASSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone (CID 134932432) is 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone is CC(=O)c1ccc(/C=C(\OCCN(C)C)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone?
The InChIKey is PDGKWXYNHIDMOO-HKWRFOASSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(22)18-11-9-17(10-12-18)15-20(23-14-13-21(2)3)19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3/b20-15-.
What are the key properties of 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone?
1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone has a molecular weight of 309.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-2-[2-(dimethylamino)ethoxy]-2-phenylethenyl]phenyl]ethanone is sourced from PubChem (CID 134932432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).