2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene

C14H12Cl2OS — CID 173185072

IUPAC2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene
SMILESCOc1ccccc1-c1ccc(SC)c(Cl)c1Cl
InChIInChI=1S/C14H12Cl2OS/c1-17-11-6-4-3-5-9(11)10-7-8-12(18-2)14(16)13(10)15/h3-8H,1-2H3
InChIKeyQZIOUYGPVMKRNN-UHFFFAOYSA-N
MW299.22 g/mol
LogP5.39
Rot. Bonds3

About 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene

2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene (PubChem CID 173185072) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene
PubChem CID173185072
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene
SMILESCOc1ccccc1-c1ccc(SC)c(Cl)c1Cl
InChIInChI=1S/C14H12Cl2OS/c1-17-11-6-4-3-5-9(11)10-7-8-12(18-2)14(16)13(10)15/h3-8H,1-2H3
InChIKeyQZIOUYGPVMKRNN-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.22
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
CID 39233250
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
CID 171921707
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene?
The IUPAC name of 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene (CID 173185072) is 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene?
The canonical SMILES for 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene is COc1ccccc1-c1ccc(SC)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene?
The InChIKey is QZIOUYGPVMKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c1-17-11-6-4-3-5-9(11)10-7-8-12(18-2)14(16)13(10)15/h3-8H,1-2H3.
What are the key properties of 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene?
2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene has a molecular weight of 299.22 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 173185072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).