4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol

C12H13F3O3S — CID 91365835

IUPAC4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol
SMILESCC=C(CC)c1ccc(O)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3O3S/c1-3-8(4-2)9-5-6-10(16)11(7-9)19(17,18)12(13,14)15/h3,5-7,16H,4H2,1-2H3
InChIKeyRSNZGEAOOWVKOG-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.50
Rot. Bonds3

About 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol

4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol (PubChem CID 91365835) has the molecular formula C12H13F3O3S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol
PubChem CID91365835
Molecular FormulaC12H13F3O3S
Molecular Weight294.29 g/mol
Exact Mass294.05
IUPAC Name4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol
SMILESCC=C(CC)c1ccc(O)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3O3S/c1-3-8(4-2)9-5-6-10(16)11(7-9)19(17,18)12(13,14)15/h3,5-7,16H,4H2,1-2H3
InChIKeyRSNZGEAOOWVKOG-UHFFFAOYSA-N
XLogP3.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol 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-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol?
The IUPAC name of 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol (CID 91365835) is 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol is CC=C(CC)c1ccc(O)c(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol?
The InChIKey is RSNZGEAOOWVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3S/c1-3-8(4-2)9-5-6-10(16)11(7-9)19(17,18)12(13,14)15/h3,5-7,16H,4H2,1-2H3.
What are the key properties of 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol?
4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol has a molecular weight of 294.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 91365835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).