1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone

C19H22O2S — CID 155516592

IUPAC1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone
SMILESCOc1cc(C(C)C)c(C(=O)CSc2ccccc2)cc1C
InChIInChI=1S/C19H22O2S/c1-13(2)16-11-19(21-4)14(3)10-17(16)18(20)12-22-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3
InChIKeyHQINGUAXLYQRAU-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.10
Rot. Bonds6

About 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone

1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone (PubChem CID 155516592) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone
PubChem CID155516592
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone
SMILESCOc1cc(C(C)C)c(C(=O)CSc2ccccc2)cc1C
InChIInChI=1S/C19H22O2S/c1-13(2)16-11-19(21-4)14(3)10-17(16)18(20)12-22-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3
InChIKeyHQINGUAXLYQRAU-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone 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 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone (CID 155516592) is 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone is COc1cc(C(C)C)c(C(=O)CSc2ccccc2)cc1C.
What is the InChIKey of 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone?
The InChIKey is HQINGUAXLYQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2S/c1-13(2)16-11-19(21-4)14(3)10-17(16)18(20)12-22-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3.
What are the key properties of 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone?
1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone has a molecular weight of 314.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-5-methyl-2-propan-2-ylphenyl)-2-phenylsulfanylethanone is sourced from PubChem (CID 155516592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).