(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

C19H19FO5 — CID 10193563

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1F
InChIInChI=1S/C19H19FO5/c1-22-16-9-6-12(11-14(16)20)5-8-15(21)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11H,1-4H3/b8-5+
InChIKeyMLOYKUHMNCNBEK-VMPITWQZSA-N
MW346.35 g/mol
LogP3.76
Rot. Bonds7

About (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 10193563) has the molecular formula C19H19FO5 and a molecular weight of 346.35 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
PubChem CID10193563
Molecular FormulaC19H19FO5
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1F
InChIInChI=1S/C19H19FO5/c1-22-16-9-6-12(11-14(16)20)5-8-15(21)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11H,1-4H3/b8-5+
InChIKeyMLOYKUHMNCNBEK-VMPITWQZSA-N
XLogP3.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tangeretin
CID 68077
Diosmetin
CID 5281612
Nobiletin
CID 72344
Isorhamnetin
CID 5281654
2,4,5-Trimethoxybenzaldehyde
CID 20525
Calycosin
CID 5280448
Glycitein
CID 5317750
2,2'-Dihydroxy-4-methoxybenzophenone
CID 8569
Tectorigenin
CID 5281811
Ipriflavone
CID 3747
Acetosyringone
CID 17198
8-Hydroxydaidzein
CID 5466139

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one (CID 10193563) is (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is MLOYKUHMNCNBEK-VMPITWQZSA-N. The full InChI is InChI=1S/C19H19FO5/c1-22-16-9-6-12(11-14(16)20)5-8-15(21)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11H,1-4H3/b8-5+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 346.35 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 10193563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).