(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol

C15H14F2OS — CID 106848139

IUPAC(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15,18H,2H2,1H3
InChIKeyYFYDFVPXDSHCCX-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.16
Rot. Bonds4

About (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol

(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol (PubChem CID 106848139) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
PubChem CID106848139
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
SMILESCCSc1ccc(C(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H14F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15,18H,2H2,1H3
InChIKeyYFYDFVPXDSHCCX-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 106848363
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
[(4-ethylsulfanylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 106850374
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111
(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
CID 97293006

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol (CID 106848139) is (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol is CCSc1ccc(C(O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol?
The InChIKey is YFYDFVPXDSHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15,18H,2H2,1H3.
What are the key properties of (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol?
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol has a molecular weight of 280.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol is sourced from PubChem (CID 106848139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).