2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol

C19H15F3O2S — CID 174522484

IUPAC2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol
SMILESCOc1ccc(Cc2sc(C(F)(F)F)cc2-c2ccccc2O)cc1
InChIInChI=1S/C19H15F3O2S/c1-24-13-8-6-12(7-9-13)10-17-15(11-18(25-17)19(20,21)22)14-4-2-3-5-16(14)23/h2-9,11,23H,10H2,1H3
InChIKeySPVCOMDJMDHTCQ-UHFFFAOYSA-N
MW364.39 g/mol
LogP5.74
Rot. Bonds4

About 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol

2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol (PubChem CID 174522484) has the molecular formula C19H15F3O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol
PubChem CID174522484
Molecular FormulaC19H15F3O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol
SMILESCOc1ccc(Cc2sc(C(F)(F)F)cc2-c2ccccc2O)cc1
InChIInChI=1S/C19H15F3O2S/c1-24-13-8-6-12(7-9-13)10-17-15(11-18(25-17)19(20,21)22)14-4-2-3-5-16(14)23/h2-9,11,23H,10H2,1H3
InChIKeySPVCOMDJMDHTCQ-UHFFFAOYSA-N
XLogP5.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol (CID 174522484) is 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol is COc1ccc(Cc2sc(C(F)(F)F)cc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol?
The InChIKey is SPVCOMDJMDHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3O2S/c1-24-13-8-6-12(7-9-13)10-17-15(11-18(25-17)19(20,21)22)14-4-2-3-5-16(14)23/h2-9,11,23H,10H2,1H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol?
2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol has a molecular weight of 364.39 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)thiophen-3-yl]phenol is sourced from PubChem (CID 174522484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).