1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene

C14H10ClF3OS — CID 70431755

IUPAC1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Sc2ccc(Cl)cc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3OS/c1-19-13-11(14(16,17)18)3-2-4-12(13)20-10-7-5-9(15)6-8-10/h2-8H,1H3
InChIKeySCDLWXBENZLMBT-UHFFFAOYSA-N
MW318.75 g/mol
LogP5.52
Rot. Bonds3

About 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene

1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene (PubChem CID 70431755) has the molecular formula C14H10ClF3OS and a molecular weight of 318.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene
PubChem CID70431755
Molecular FormulaC14H10ClF3OS
Molecular Weight318.75 g/mol
Exact Mass318.01
IUPAC Name1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(Sc2ccc(Cl)cc2)cccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3OS/c1-19-13-11(14(16,17)18)3-2-4-12(13)20-10-7-5-9(15)6-8-10/h2-8H,1H3
InChIKeySCDLWXBENZLMBT-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.75
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-fluoro-6H-benzo[c][1,5]benzoxathiepine
CID 827163
1-(4-Chlorophenylthio)methoxy-3-trifluoromethylbenzene
CID 13097729
4-(Chloromethyl)-1-methoxy-2-((trifluoromethyl)sulfanyl)benzene
CID 54595439
4-Chloro-2-methoxy-1-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 178346443
1-Chloro-4-[(4-methylphenoxy)methylsulfanyl]benzene
CID 12439511
2-Fluorophenyl 2-methoxy-3-(1-chloroethyl)phenyl thioether
CID 20513414
2-Chloro-1-[(4-methoxyphenyl)sulfanyl]-4-(trifluoromethyl)benzene
CID 22761246
1-Methoxy-2-[3-(trifluoromethyl)phenyl]sulfanylbenzene
CID 22761249
1-(2-Chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
CID 59378216
2',6'-Dichloro-5-fluoro-2-methoxy-3-methylsulfanyl-biphenyl
CID 59378225
1-Chloro-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]benzene
CID 59882021
4-Chloro-1-(3-fluoro-phenylsulfanyl)-2-methoxybenzene
CID 69006946

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene (CID 70431755) is 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene is COc1c(Sc2ccc(Cl)cc2)cccc1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is SCDLWXBENZLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3OS/c1-19-13-11(14(16,17)18)3-2-4-12(13)20-10-7-5-9(15)6-8-10/h2-8H,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene?
1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 318.75 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 70431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).