(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol

C11H14F2OS — CID 63813506

IUPAC(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
SMILESCC(C)(C)Sc1c(F)cc(CO)cc1F
InChIInChI=1S/C11H14F2OS/c1-11(2,3)15-10-8(12)4-7(6-14)5-9(10)13/h4-5,14H,6H2,1-3H3
InChIKeyOGBOOWRQKHOLGN-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.35
Rot. Bonds2

About (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol

(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol (PubChem CID 63813506) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
PubChem CID63813506
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol
SMILESCC(C)(C)Sc1c(F)cc(CO)cc1F
InChIInChI=1S/C11H14F2OS/c1-11(2,3)15-10-8(12)4-7(6-14)5-9(10)13/h4-5,14H,6H2,1-3H3
InChIKeyOGBOOWRQKHOLGN-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluoro-4-propylsulfanylphenyl)methanol
CID 63814984
methyl 2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 63835391
4-tert-butylsulfanyl-3,5-difluorobenzonitrile
CID 81283930
2-[2,6-difluoro-4-(hydroxymethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 114234861
(3,5-difluoro-4-pyrimidin-2-ylsulfanylphenyl)methanol
CID 63813721
2-[4-[(tert-butylamino)methyl]-2,6-difluorophenyl]sulfanylethanol
CID 55238305
[3,5-difluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 55240251
(3,5-difluoro-4-isocyanophenyl)methanol
CID 155654687
(3,4-difluorophenyl)methanol
CID 522833
3-(3,5-difluoro-4-methylsulfanylphenyl)-2,2-dimethylpropanoic acid
CID 117404944
tert-butyl 2-[2-fluoro-4-(hydroxymethyl)phenyl]sulfanylacetate
CID 116687870
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol?
The IUPAC name of (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol (CID 63813506) is (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol?
The canonical SMILES for (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol is CC(C)(C)Sc1c(F)cc(CO)cc1F.
What is the InChIKey of (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol?
The InChIKey is OGBOOWRQKHOLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-11(2,3)15-10-8(12)4-7(6-14)5-9(10)13/h4-5,14H,6H2,1-3H3.
What are the key properties of (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol?
(4-tert-butylsulfanyl-3,5-difluorophenyl)methanol has a molecular weight of 232.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylsulfanyl-3,5-difluorophenyl)methanol is sourced from PubChem (CID 63813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).