4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

C14H11ClF2O2S — CID 61031722

IUPAC4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2cc(Cl)ccc2OC(F)F)cc1
InChIInChI=1S/C14H11ClF2O2S/c15-10-1-6-13(19-14(16)17)9(7-10)8-20-12-4-2-11(18)3-5-12/h1-7,14,18H,8H2
InChIKeyRUBXSOYDKJAAKF-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.94
Rot. Bonds5

About 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (PubChem CID 61031722) has the molecular formula C14H11ClF2O2S and a molecular weight of 316.76 g/mol. Its IUPAC name is 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
PubChem CID61031722
Molecular FormulaC14H11ClF2O2S
Molecular Weight316.76 g/mol
Exact Mass316.01
IUPAC Name4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccc(SCc2cc(Cl)ccc2OC(F)F)cc1
InChIInChI=1S/C14H11ClF2O2S/c15-10-1-6-13(19-14(16)17)9(7-10)8-20-12-4-2-11(18)3-5-12/h1-7,14,18H,8H2
InChIKeyRUBXSOYDKJAAKF-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-({[5-Chloro-2-(difluoromethoxy)phenyl]methyl}sulfanyl)ethan-1-ol
CID 2344506
1,3-Dichloro-2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]benzene
CID 2744518
4-(4-Methoxyphenylthio)-2-(trifluoromethyl)phenol
CID 21466467
2-Chloro-1-[(4-methoxyphenyl)sulfanyl]-4-(trifluoromethyl)benzene
CID 22761246
2-(5-Chloro-2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)phenol
CID 70808171
2-(3-Chlorophenyl)-4-(4-phenylbutylsulfanyl)-1-(trifluoromethoxy)benzene
CID 91807070
2-Benzylsulfanyl-4-chloro-1-(trifluoromethoxy)benzene
CID 140800518
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]acetic acid
CID 43244884
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]propanoic acid
CID 43244885
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]propanoic acid
CID 43351212
4-[[2-(Difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 54910803
4-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]phenol
CID 54911136

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The IUPAC name of 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (CID 61031722) is 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is Oc1ccc(SCc2cc(Cl)ccc2OC(F)F)cc1.
What is the InChIKey of 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The InChIKey is RUBXSOYDKJAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2S/c15-10-1-6-13(19-14(16)17)9(7-10)8-20-12-4-2-11(18)3-5-12/h1-7,14,18H,8H2.
What are the key properties of 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol has a molecular weight of 316.76 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 61031722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).