2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol

C10H11ClF2O2S — CID 2344506

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol
SMILESOCCSCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H11ClF2O2S/c11-8-1-2-9(15-10(12)13)7(5-8)6-16-4-3-14/h1-2,5,10,14H,3-4,6H2
InChIKeyDGFBKYUIGSFJQC-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.17
Rot. Bonds6

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

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol (PubChem CID 2344506) has the molecular formula C10H11ClF2O2S and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol
PubChem CID2344506
Molecular FormulaC10H11ClF2O2S
Molecular Weight268.71 g/mol
Exact Mass268.01
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol
SMILESOCCSCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H11ClF2O2S/c11-8-1-2-9(15-10(12)13)7(5-8)6-16-4-3-14/h1-2,5,10,14H,3-4,6H2
InChIKeyDGFBKYUIGSFJQC-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

MCPA-thioethyl
CID 32876
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CID 57368624
1-[5-Chloro-2-(difluoromethoxy)phenyl]ethan-1-ol
CID 62072382
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
8-Chloro-3,4-dihydro-2H,6H-1,5-benzoxathiocin-3-ol
CID 224195
(5-Chloro-2-methoxyphenyl)methanol
CID 4357585
(5-Chloro-2-methoxyphenyl)methanethiol
CID 43646694
3-(5-Chloro-2-methoxyphenyl)prop-2-yn-1-ol
CID 60801777
3-Chloro-6-methoxyphenethyl alcohol
CID 62790249
2-(1,2,2-Trifluoroethenyl)-4-chloroanisole
CID 102290482
4-Chloro-1-methoxy-2-(trifluoromethyl)benzene
CID 4340709

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol (CID 2344506) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol is OCCSCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol?
The InChIKey is DGFBKYUIGSFJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2S/c11-8-1-2-9(15-10(12)13)7(5-8)6-16-4-3-14/h1-2,5,10,14H,3-4,6H2.
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol has a molecular weight of 268.71 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]ethanol is sourced from PubChem (CID 2344506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).