(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one

C20H22O4 — CID 70984865

IUPAC(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one
SMILESCO/C(C(=O)c1ccc(OC)cc1C)=C(/C)c1cccc(OC)c1
InChIInChI=1S/C20H22O4/c1-13-11-17(23-4)9-10-18(13)19(21)20(24-5)14(2)15-7-6-8-16(12-15)22-3/h6-12H,1-5H3/b20-14-
InChIKeyDEOZQGDZPWYVDL-ZHZULCJRSA-N
MW326.39 g/mol
LogP4.27
Rot. Bonds6

About (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one

(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one (PubChem CID 70984865) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one
PubChem CID70984865
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one
SMILESCO/C(C(=O)c1ccc(OC)cc1C)=C(/C)c1cccc(OC)c1
InChIInChI=1S/C20H22O4/c1-13-11-17(23-4)9-10-18(13)19(21)20(24-5)14(2)15-7-6-8-16(12-15)22-3/h6-12H,1-5H3/b20-14-
InChIKeyDEOZQGDZPWYVDL-ZHZULCJRSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one?
The IUPAC name of (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one (CID 70984865) is (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one.
What is the SMILES notation for (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one?
The canonical SMILES for (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one is CO/C(C(=O)c1ccc(OC)cc1C)=C(/C)c1cccc(OC)c1.
What is the InChIKey of (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one?
The InChIKey is DEOZQGDZPWYVDL-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H22O4/c1-13-11-17(23-4)9-10-18(13)19(21)20(24-5)14(2)15-7-6-8-16(12-15)22-3/h6-12H,1-5H3/b20-14-.
What are the key properties of (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one?
(Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one has a molecular weight of 326.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-1-(4-methoxy-2-methylphenyl)-3-(3-methoxyphenyl)but-2-en-1-one is sourced from PubChem (CID 70984865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).