3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one

C19H22O3S — CID 24764198

IUPAC3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one
SMILESCCSC(CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O3S/c1-4-23-19(15-7-11-17(22-3)12-8-15)13-18(20)14-5-9-16(21-2)10-6-14/h5-12,19H,4,13H2,1-3H3
InChIKeyUSJMRUIENLDLIQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.77
Rot. Bonds8

About 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one

3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one (PubChem CID 24764198) has the molecular formula C19H22O3S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one
PubChem CID24764198
Molecular FormulaC19H22O3S
Molecular Weight330.45 g/mol
Exact Mass330.13
IUPAC Name3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one
SMILESCCSC(CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O3S/c1-4-23-19(15-7-11-17(22-3)12-8-15)13-18(20)14-5-9-16(21-2)10-6-14/h5-12,19H,4,13H2,1-3H3
InChIKeyUSJMRUIENLDLIQ-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one (CID 24764198) is 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one is CCSC(CC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one?
The InChIKey is USJMRUIENLDLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3S/c1-4-23-19(15-7-11-17(22-3)12-8-15)13-18(20)14-5-9-16(21-2)10-6-14/h5-12,19H,4,13H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one?
3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one has a molecular weight of 330.45 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,3-bis(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 24764198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).