1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one

C20H18O4S — CID 2825443

IUPAC1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CSC=CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H18O4S/c1-23-17-7-3-15(4-8-17)19(21)11-13-25-14-12-20(22)16-5-9-18(24-2)10-6-16/h3-14H,1-2H3
InChIKeyDOXPHLJHQOJLPJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.53
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one

1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one (PubChem CID 2825443) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
PubChem CID2825443
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Name1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
SMILESCOc1ccc(C(=O)C=CSC=CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H18O4S/c1-23-17-7-3-15(4-8-17)19(21)11-13-25-14-12-20(22)16-5-9-18(24-2)10-6-16/h3-14H,1-2H3
InChIKeyDOXPHLJHQOJLPJ-UHFFFAOYSA-N
XLogP4.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
triethyl-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]azanium chloride
CID 72737997
3-(4-methoxy-2,6-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70019176
(Z)-1-(4-ethylphenyl)-3-[(Z)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 92858259
3-(2,5-dichlorophenyl)sulfanyl-1-(4-methoxyphenyl)prop-2-en-1-one
CID 2801839
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one (CID 2825443) is 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one is COc1ccc(C(=O)C=CSC=CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one?
The InChIKey is DOXPHLJHQOJLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-23-17-7-3-15(4-8-17)19(21)11-13-25-14-12-20(22)16-5-9-18(24-2)10-6-16/h3-14H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one?
1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one has a molecular weight of 354.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one is sourced from PubChem (CID 2825443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).