4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

C14H12F2O2S — CID 54910803

IUPAC4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-13-4-2-1-3-10(13)9-19-12-7-5-11(17)6-8-12/h1-8,14,17H,9H2
InChIKeyPNUIGLJDYJEVIN-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.29
Rot. Bonds5

About 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (PubChem CID 54910803) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
PubChem CID54910803
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-13-4-2-1-3-10(13)9-19-12-7-5-11(17)6-8-12/h1-8,14,17H,9H2
InChIKeyPNUIGLJDYJEVIN-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
4-Methoxy-2-(phenylsulfanylmethyl)phenol
CID 12561120
2-[[2-(Hydroxymethyl)phenyl]sulfanylmethyl]-4-methoxyphenol
CID 13649567
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-4-(trifluoromethyl)benzene
CID 72188763
1-[(E)-2-(4-methoxyphenyl)sulfinylethenyl]-2-(trifluoromethyl)benzene
CID 72193347
4-Fluorobenzyl 4-methoxyphenyl sulfide
CID 85650132
4-(Trifluoromethyl)phenyl 4-methoxyphenyl sulfoxide
CID 85808145
Benzyl 4-methoxyphenyl sulfide
CID 10900447
1-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]-2-(trifluoromethoxy)benzene
CID 76332693
1-(4-Ethylsulfinylphenyl)-2-(fluoromethoxy)benzene
CID 168272222
2-Benzyl-4-(trifluoromethylsulfanyl)phenol
CID 135066175
1-((4-Methoxyphenyl)thio)-4-(trifluoromethyl)benzene
CID 11289096

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (CID 54910803) is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is Oc1ccc(SCc2ccccc2OC(F)F)cc1.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The InChIKey is PNUIGLJDYJEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c15-14(16)18-13-4-2-1-3-10(13)9-19-12-7-5-11(17)6-8-12/h1-8,14,17H,9H2.
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol has a molecular weight of 282.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 54910803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).