(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one

C21H24O5 — CID 24828195

IUPAC(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(OCC)c1C(=O)/C=C/c1c(OC)cccc1OC
InChIInChI=1S/C21H24O5/c1-5-25-19-11-8-12-20(26-6-2)21(19)16(22)14-13-15-17(23-3)9-7-10-18(15)24-4/h7-14H,5-6H2,1-4H3/b14-13+
InChIKeyQIPSEHJFODSFMH-BUHFOSPRSA-N
MW356.42 g/mol
LogP4.40
Rot. Bonds9

About (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one

(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 24828195) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
PubChem CID24828195
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(OCC)c1C(=O)/C=C/c1c(OC)cccc1OC
InChIInChI=1S/C21H24O5/c1-5-25-19-11-8-12-20(26-6-2)21(19)16(22)14-13-15-17(23-3)9-7-10-18(15)24-4/h7-14H,5-6H2,1-4H3/b14-13+
InChIKeyQIPSEHJFODSFMH-BUHFOSPRSA-N
XLogP4.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.40
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

(E)-3-(2,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 16754161
ethyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 53401866
ethyl (E)-3-(2,6-dimethoxyphenyl)prop-2-enoate
CID 15183932
(E)-3-(2,6-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 10615963
(Z)-4-(2,6-dimethoxyphenyl)-1-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]sulfonylbut-3-en-2-one
CID 57480438
(E)-3-(2,6-diethoxyphenyl)-1-(4-prop-1-en-2-yloxyphenyl)prop-2-en-1-one
CID 70015039
3-(2,6-diethoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one
CID 67828238
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664
(E)-3-(2,5-diethoxy-3-methoxyphenyl)-1-(2,3,6-triethoxyphenyl)prop-2-en-1-one
CID 70017134
3-(2,5-diethoxy-3-methoxyphenyl)-1-(2,3,6-triethoxyphenyl)prop-2-en-1-one
CID 70017136
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one (CID 24828195) is (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one is CCOc1cccc(OCC)c1C(=O)/C=C/c1c(OC)cccc1OC.
What is the InChIKey of (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is QIPSEHJFODSFMH-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H24O5/c1-5-25-19-11-8-12-20(26-6-2)21(19)16(22)14-13-15-17(23-3)9-7-10-18(15)24-4/h7-14H,5-6H2,1-4H3/b14-13+.
What are the key properties of (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one?
(E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 356.42 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 24828195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).