1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene

C14H12ClFOS — CID 171366928

IUPAC1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene
SMILESCSc1cc(F)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C14H12ClFOS/c1-18-14-8-12(16)11(15)7-13(14)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYTRIQDQTDAFGBR-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.78
Rot. Bonds4

About 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene

1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene (PubChem CID 171366928) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene
PubChem CID171366928
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene
SMILESCSc1cc(F)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C14H12ClFOS/c1-18-14-8-12(16)11(15)7-13(14)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYTRIQDQTDAFGBR-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.78
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
1-(3-Chlorophenoxymethyl)-4-fluorobenzene
CID 60627868
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(4-chlorophenyl)sulfane
CID 162623263
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(4-chlorophenyl)sulfane
CID 162623314
4-Chloro-2-methoxy-1-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 178346443
1-Chloro-4-[(4-methylphenoxy)methylsulfanyl]benzene
CID 12439511
1-Chloro-4-[[4-(methylthio)phenoxy]methyl]benzene
CID 19797095
4-[(3-Chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene
CID 20899674
4-(2-Chlorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633779
4-(Benzyloxy)-2-chloro-1-fluorobenzene
CID 58499719
1-(Benzyloxy)-3-chloro-2-fluorobenzene
CID 58592620

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene?
The IUPAC name of 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene (CID 171366928) is 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene?
The canonical SMILES for 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene is CSc1cc(F)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene?
The InChIKey is YTRIQDQTDAFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c1-18-14-8-12(16)11(15)7-13(14)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene?
1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene has a molecular weight of 282.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-methylsulfanyl-5-phenylmethoxybenzene is sourced from PubChem (CID 171366928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).