1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol

C15H14ClFO2S — CID 66071578

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccc(F)cc1
InChIInChI=1S/C15H14ClFO2S/c1-19-15-7-2-10(16)8-13(15)14(18)9-20-12-5-3-11(17)4-6-12/h2-8,14,18H,9H2,1H3
InChIKeyUAUZLKXEWTYAOL-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.31
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol

1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol (PubChem CID 66071578) has the molecular formula C15H14ClFO2S and a molecular weight of 312.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol
PubChem CID66071578
Molecular FormulaC15H14ClFO2S
Molecular Weight312.79 g/mol
Exact Mass312.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol
SMILESCOc1ccc(Cl)cc1C(O)CSc1ccc(F)cc1
InChIInChI=1S/C15H14ClFO2S/c1-19-15-7-2-10(16)8-13(15)14(18)9-20-12-5-3-11(17)4-6-12/h2-8,14,18H,9H2,1H3
InChIKeyUAUZLKXEWTYAOL-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chloro-2-methoxyphenyl)ethanol
CID 58046356
1-[5-Chloro-2-(difluoromethoxy)phenyl]ethan-1-ol
CID 62072382
2-({[5-Chloro-2-(difluoromethoxy)phenyl]methyl}sulfanyl)ethan-1-ol
CID 2344506
2-Benzylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 16255450
{5-Chloro-2-[(3-fluorobenzyl)oxy]phenyl}methanol
CID 896839
{5-Chloro-2-[(4-fluorobenzyl)oxy]phenyl}methanol
CID 897948
1-(3-Chloro-2-fluoro-6-methoxyphenyl)ethanol
CID 84672794
5'-Chloro-4-(ethylsulfonyl)-2-fluoro-2'-methoxy-1,1'-biphenyl
CID 86723264
1-(5-Chloro-2-((4-chloro-2-fluorobenzyl)oxy)phenyl)ethanol
CID 89437126
1-(3-Chloro-2-fluoro-6-methoxyphenyl)butan-1-ol
CID 123905556
(1S)-1-[5-chloro-2-(trifluoromethoxy)phenyl]propan-1-ol
CID 135154931
1-[5-Chloro-2-(trifluoromethoxy)phenyl]ethanol
CID 135155037

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol (CID 66071578) is 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol is COc1ccc(Cl)cc1C(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol?
The InChIKey is UAUZLKXEWTYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2S/c1-19-15-7-2-10(16)8-13(15)14(18)9-20-12-5-3-11(17)4-6-12/h2-8,14,18H,9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol?
1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol has a molecular weight of 312.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol is sourced from PubChem (CID 66071578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).