phenyl-(3,4,5-trichlorothiophen-2-yl)methanol

C11H7Cl3OS — CID 102009538

IUPACphenyl-(3,4,5-trichlorothiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H7Cl3OS/c12-7-8(13)11(14)16-10(7)9(15)6-4-2-1-3-5-6/h1-5,9,15H
InChIKeyBULWUTJMYURWIC-UHFFFAOYSA-N
MW293.60 g/mol
LogP4.79
Rot. Bonds2

About phenyl-(3,4,5-trichlorothiophen-2-yl)methanol

phenyl-(3,4,5-trichlorothiophen-2-yl)methanol (PubChem CID 102009538) has the molecular formula C11H7Cl3OS and a molecular weight of 293.60 g/mol. Its IUPAC name is phenyl-(3,4,5-trichlorothiophen-2-yl)methanol.

Molecular Properties

Compound Namephenyl-(3,4,5-trichlorothiophen-2-yl)methanol
PubChem CID102009538
Molecular FormulaC11H7Cl3OS
Molecular Weight293.60 g/mol
Exact Mass291.93
IUPAC Namephenyl-(3,4,5-trichlorothiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H7Cl3OS/c12-7-8(13)11(14)16-10(7)9(15)6-4-2-1-3-5-6/h1-5,9,15H
InChIKeyBULWUTJMYURWIC-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.60
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3,4,5-trichlorothiophen-2-yl)methanol?
The IUPAC name of phenyl-(3,4,5-trichlorothiophen-2-yl)methanol (CID 102009538) is phenyl-(3,4,5-trichlorothiophen-2-yl)methanol.
What is the SMILES notation for phenyl-(3,4,5-trichlorothiophen-2-yl)methanol?
The canonical SMILES for phenyl-(3,4,5-trichlorothiophen-2-yl)methanol is OC(c1ccccc1)c1sc(Cl)c(Cl)c1Cl.
What is the InChIKey of phenyl-(3,4,5-trichlorothiophen-2-yl)methanol?
The InChIKey is BULWUTJMYURWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3OS/c12-7-8(13)11(14)16-10(7)9(15)6-4-2-1-3-5-6/h1-5,9,15H.
What are the key properties of phenyl-(3,4,5-trichlorothiophen-2-yl)methanol?
phenyl-(3,4,5-trichlorothiophen-2-yl)methanol has a molecular weight of 293.60 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3,4,5-trichlorothiophen-2-yl)methanol is sourced from PubChem (CID 102009538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).