[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol

C15H25FOS — CID 154663807

IUPAC[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol
SMILESCC(C)(C)S(F)(c1ccc(CO)cc1)C(C)(C)C
InChIInChI=1S/C15H25FOS/c1-14(2,3)18(16,15(4,5)6)13-9-7-12(11-17)8-10-13/h7-10,17H,11H2,1-6H3
InChIKeyLPPQCJWPQUNUBZ-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.82
Rot. Bonds2

About [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol

[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol (PubChem CID 154663807) has the molecular formula C15H25FOS and a molecular weight of 272.43 g/mol. Its IUPAC name is [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol
PubChem CID154663807
Molecular FormulaC15H25FOS
Molecular Weight272.43 g/mol
Exact Mass272.16
IUPAC Name[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol
SMILESCC(C)(C)S(F)(c1ccc(CO)cc1)C(C)(C)C
InChIInChI=1S/C15H25FOS/c1-14(2,3)18(16,15(4,5)6)13-9-7-12(11-17)8-10-13/h7-10,17H,11H2,1-6H3
InChIKeyLPPQCJWPQUNUBZ-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol?
The IUPAC name of [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol (CID 154663807) is [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol?
The canonical SMILES for [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol is CC(C)(C)S(F)(c1ccc(CO)cc1)C(C)(C)C.
What is the InChIKey of [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol?
The InChIKey is LPPQCJWPQUNUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FOS/c1-14(2,3)18(16,15(4,5)6)13-9-7-12(11-17)8-10-13/h7-10,17H,11H2,1-6H3.
What are the key properties of [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol?
[4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol has a molecular weight of 272.43 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ditert-butyl(fluoro)-λ4-sulfanyl]phenyl]methanol is sourced from PubChem (CID 154663807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).