4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene

C18H17F3O3S — CID 141081396

IUPAC4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C=C(C)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3O3S/c1-12(10-13-4-7-15(24-2)8-5-13)14-6-9-17(25(3,22)23)16(11-14)18(19,20)21/h4-11H,1-3H3
InChIKeySYHDGMMAYWADGI-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.68
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene

4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene (PubChem CID 141081396) has the molecular formula C18H17F3O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene
PubChem CID141081396
Molecular FormulaC18H17F3O3S
Molecular Weight370.39 g/mol
Exact Mass370.09
IUPAC Name4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C=C(C)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3O3S/c1-12(10-13-4-7-15(24-2)8-5-13)14-6-9-17(25(3,22)23)16(11-14)18(19,20)21/h4-11H,1-3H3
InChIKeySYHDGMMAYWADGI-UHFFFAOYSA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene 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 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene (CID 141081396) is 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene is COc1ccc(C=C(C)c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is SYHDGMMAYWADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3S/c1-12(10-13-4-7-15(24-2)8-5-13)14-6-9-17(25(3,22)23)16(11-14)18(19,20)21/h4-11H,1-3H3.
What are the key properties of 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene?
4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 370.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141081396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).