1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol

C15H14F2OS — CID 105409441

IUPAC1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
SMILESCC(O)c1cccc(SCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H14F2OS/c1-10(18)12-3-2-4-15(7-12)19-9-11-5-13(16)8-14(17)6-11/h2-8,10,18H,9H2,1H3
InChIKeyCFZJBCXYYSMGAR-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.31
Rot. Bonds4

About 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol

1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol (PubChem CID 105409441) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
PubChem CID105409441
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
SMILESCC(O)c1cccc(SCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H14F2OS/c1-10(18)12-3-2-4-15(7-12)19-9-11-5-13(16)8-14(17)6-11/h2-8,10,18H,9H2,1H3
InChIKeyCFZJBCXYYSMGAR-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
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1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
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1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64666802
1-[4-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanamine
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CID 64665949

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol (CID 105409441) is 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol is CC(O)c1cccc(SCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is CFZJBCXYYSMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c1-10(18)12-3-2-4-15(7-12)19-9-11-5-13(16)8-14(17)6-11/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol?
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 280.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 105409441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).