1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene

C14H11Cl2FOS — CID 59378225

IUPAC1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
SMILESCOc1c(SC)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FOS/c1-18-14-9(6-8(17)7-12(14)19-2)13-10(15)4-3-5-11(13)16/h3-7H,1-2H3
InChIKeyNTGCWRYVNMLOOI-UHFFFAOYSA-N
MW317.21 g/mol
LogP5.53
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene

1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene (PubChem CID 59378225) has the molecular formula C14H11Cl2FOS and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
PubChem CID59378225
Molecular FormulaC14H11Cl2FOS
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
SMILESCOc1c(SC)cc(F)cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2FOS/c1-18-14-9(6-8(17)7-12(14)19-2)13-10(15)4-3-5-11(13)16/h3-7H,1-2H3
InChIKeyNTGCWRYVNMLOOI-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluorophenyl 2-methoxy-3-(1-chloroethyl)phenyl thioether
CID 20513414
2',6'-Dichloro-5-fluoro-2-methoxybiphenyl
CID 58646955
5-Fluoro-2-methoxy-1-methylsulfanyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 59378212
[7-(2,6-Dichloro-phenyl)-5-fluoro-benzo[1,3]oxathiol-2-yl]methanol
CID 59378213
2',6'-Dichloro-5-fluoro-3-methylsulfanyl-biphenyl-2-ol
CID 59378215
1-(2-Chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
CID 59378216
2-(2-Chlorophenyl)-4-fluoro-6-methylsulfanylphenol
CID 59378217
[8-(2,6-Dichloro-phenyl)-6-fluoro-2,3-dihydro-benzo[1,4]oxathiin-2-yl]-methanol
CID 59378219
2-Azidomethyl-5-fluoro-7-(2,6-Dichloro-phenyl)-benzo[1,3]oxathiole
CID 59378230
2-Chloro-1-(5-fluoro-2-methoxybenzyl)-3-(methylsulfonyl)benzene
CID 67108404
1-(2,6-Dichlorophenyl)-5-fluoro-2-methoxy-3-methylbenzene
CID 70310882
1-(4-Chlorophenyl)sulfanyl-2-methoxy-3-(trifluoromethyl)benzene
CID 70431755

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene (CID 59378225) is 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene is COc1c(SC)cc(F)cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
The InChIKey is NTGCWRYVNMLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FOS/c1-18-14-9(6-8(17)7-12(14)19-2)13-10(15)4-3-5-11(13)16/h3-7H,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene?
1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene has a molecular weight of 317.21 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene is sourced from PubChem (CID 59378225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).