(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one

C19H20FNO2 — CID 71451412

IUPAC(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one
SMILESCN(C)CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO2/c1-21(2)13-14-23-18-10-6-16(7-11-18)19(22)12-5-15-3-8-17(20)9-4-15/h3-12H,13-14H2,1-2H3/b12-5+
InChIKeyRABKCEUOMSAKEJ-LFYBBSHMSA-N
MW313.37 g/mol
LogP3.66
Rot. Bonds7

About (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one

(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 71451412) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one
PubChem CID71451412
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one
SMILESCN(C)CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO2/c1-21(2)13-14-23-18-10-6-16(7-11-18)19(22)12-5-15-3-8-17(20)9-4-15/h3-12H,13-14H2,1-2H3/b12-5+
InChIKeyRABKCEUOMSAKEJ-LFYBBSHMSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one (CID 71451412) is (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one is CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is RABKCEUOMSAKEJ-LFYBBSHMSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-21(2)13-14-23-18-10-6-16(7-11-18)19(22)12-5-15-3-8-17(20)9-4-15/h3-12H,13-14H2,1-2H3/b12-5+.
What are the key properties of (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one?
(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 313.37 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 71451412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).