2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene

C14H12ClFOS — CID 123894520

IUPAC2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene
SMILESCOc1ccc(F)cc1Sc1ccc(C)cc1Cl
InChIInChI=1S/C14H12ClFOS/c1-9-3-6-13(11(15)7-9)18-14-8-10(16)4-5-12(14)17-2/h3-8H,1-2H3
InChIKeyKTPPDQSMPHKVTD-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene

2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene (PubChem CID 123894520) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene
PubChem CID123894520
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene
SMILESCOc1ccc(F)cc1Sc1ccc(C)cc1Cl
InChIInChI=1S/C14H12ClFOS/c1-9-3-6-13(11(15)7-9)18-14-8-10(16)4-5-12(14)17-2/h3-8H,1-2H3
InChIKeyKTPPDQSMPHKVTD-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2-methoxybenzene
CID 76310928
[2-Chloro-4-[2-(fluoromethoxy)phenyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168288033
8-chloro-2-fluoro-6H-benzo[c][1,5]benzoxathiepine
CID 827163
4-Chloro-2-methoxy-1-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 178346443
1-Chloro-4-[(4-methylphenoxy)methylsulfanyl]benzene
CID 12439511
1-Methoxy-2-(4-methylphenyl)sulfanylbenzene
CID 10657104
1-Chloro-2-(4-methylphenyl)sulfonyl-4-(trifluoromethoxy)benzene
CID 20259962
4-Chloro-2-(4-methylphenyl)sulfonyl-1-(trifluoromethoxy)benzene
CID 20259966
4-(2-Chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633778
4-(2-Chlorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633779
2-Chloro-1-[(4-methoxyphenyl)sulfanyl]-4-(trifluoromethyl)benzene
CID 22761246
2-Chloro-4-ethyl-1-[2-[[4-(trifluoromethyl)phenoxy]methyl]prop-2-enylsulfanyl]benzene
CID 57882850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene?
The IUPAC name of 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene (CID 123894520) is 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene?
The canonical SMILES for 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene is COc1ccc(F)cc1Sc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene?
The InChIKey is KTPPDQSMPHKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-9-3-6-13(11(15)7-9)18-14-8-10(16)4-5-12(14)17-2/h3-8H,1-2H3.
What are the key properties of 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene?
2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene has a molecular weight of 282.77 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-fluoro-2-methoxyphenyl)sulfanyl-4-methylbenzene is sourced from PubChem (CID 123894520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).