4-(4-fluorothian-4-yl)phenol

C11H13FOS — CID 84723423

IUPAC4-(4-fluorothian-4-yl)phenol
SMILESOc1ccc(C2(F)CCSCC2)cc1
InChIInChI=1S/C11H13FOS/c12-11(5-7-14-8-6-11)9-1-3-10(13)4-2-9/h1-4,13H,5-8H2
InChIKeyDDHITVVBIPWCTC-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.08
Rot. Bonds1

About 4-(4-fluorothian-4-yl)phenol

4-(4-fluorothian-4-yl)phenol (PubChem CID 84723423) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(4-fluorothian-4-yl)phenol.

Molecular Properties

Compound Name4-(4-fluorothian-4-yl)phenol
PubChem CID84723423
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name4-(4-fluorothian-4-yl)phenol
SMILESOc1ccc(C2(F)CCSCC2)cc1
InChIInChI=1S/C11H13FOS/c12-11(5-7-14-8-6-11)9-1-3-10(13)4-2-9/h1-4,13H,5-8H2
InChIKeyDDHITVVBIPWCTC-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
4-Cyclohexylphenol
CID 14327
2-(4-Hydroxyphenyl)-1,3-dithiolane
CID 97562
2',4'-Difluoro(1,1'-biphenyl)-4-ol
CID 100955
4-Fluoro-4'-hydroxybiphenyl
CID 345420
4-[1,5-Dithiaspiro[5.5]undecan-10-yl-(4-hydroxyphenyl)methyl]phenol
CID 122194122
4-(4-Methylidenecyclohexyl)phenol
CID 58902727
Bis(4-Hydroxybenzyl)Sulfide
CID 23651847
Phenol, p-(1-cyclohexen-1-yl)-
CID 69727
3-[(E)-4-(4-hydroxyphenyl)-14-pentylsulfanyltetradec-3-en-3-yl]phenol
CID 11225434
4-[(E)-4-(4-hydroxyphenyl)-14-pentylsulfanyltetradec-3-en-3-yl]phenol
CID 11397531

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorothian-4-yl)phenol?
The IUPAC name of 4-(4-fluorothian-4-yl)phenol (CID 84723423) is 4-(4-fluorothian-4-yl)phenol.
What is the SMILES notation for 4-(4-fluorothian-4-yl)phenol?
The canonical SMILES for 4-(4-fluorothian-4-yl)phenol is Oc1ccc(C2(F)CCSCC2)cc1.
What is the InChIKey of 4-(4-fluorothian-4-yl)phenol?
The InChIKey is DDHITVVBIPWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c12-11(5-7-14-8-6-11)9-1-3-10(13)4-2-9/h1-4,13H,5-8H2.
What are the key properties of 4-(4-fluorothian-4-yl)phenol?
4-(4-fluorothian-4-yl)phenol has a molecular weight of 212.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorothian-4-yl)phenol is sourced from PubChem (CID 84723423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).