1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one

C18H20O3S — CID 166402330

IUPAC1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
SMILESCOc1ccc(C(=O)C(C)SCc2cccc(OC)c2)cc1
InChIInChI=1S/C18H20O3S/c1-13(18(19)15-7-9-16(20-2)10-8-15)22-12-14-5-4-6-17(11-14)21-3/h4-11,13H,12H2,1-3H3
InChIKeyHPJDYCAWAITYQO-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.21
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one

1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one (PubChem CID 166402330) has the molecular formula C18H20O3S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
PubChem CID166402330
Molecular FormulaC18H20O3S
Molecular Weight316.42 g/mol
Exact Mass316.11
IUPAC Name1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
SMILESCOc1ccc(C(=O)C(C)SCc2cccc(OC)c2)cc1
InChIInChI=1S/C18H20O3S/c1-13(18(19)15-7-9-16(20-2)10-8-15)22-12-14-5-4-6-17(11-14)21-3/h4-11,13H,12H2,1-3H3
InChIKeyHPJDYCAWAITYQO-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]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

Related Compounds

(2R)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 95277975
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
(2R)-3-benzylsulfanyl-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 66559484
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
6-(3-methoxyphenyl)-1-(4-methoxyphenyl)hexan-1-one
CID 164679633
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 102925420
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
3-hydroxy-1-(3-methoxyphenyl)-4-methylpentan-2-one
CID 103455228
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one (CID 166402330) is 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one is COc1ccc(C(=O)C(C)SCc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one?
The InChIKey is HPJDYCAWAITYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3S/c1-13(18(19)15-7-9-16(20-2)10-8-15)22-12-14-5-4-6-17(11-14)21-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one?
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one has a molecular weight of 316.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one is sourced from PubChem (CID 166402330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).