1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene

C15H14Cl2OS — CID 71398745

IUPAC1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene
SMILESCCCSc1cc(Oc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H14Cl2OS/c1-2-9-19-15-10-13(7-8-14(15)17)18-12-5-3-11(16)4-6-12/h3-8,10H,2,9H2,1H3
InChIKeyIZMCNNDLTDXIMD-UHFFFAOYSA-N
MW313.25 g/mol
LogP6.29
Rot. Bonds5

About 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene

1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene (PubChem CID 71398745) has the molecular formula C15H14Cl2OS and a molecular weight of 313.25 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene
PubChem CID71398745
Molecular FormulaC15H14Cl2OS
Molecular Weight313.25 g/mol
Exact Mass312.01
IUPAC Name1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene
SMILESCCCSc1cc(Oc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H14Cl2OS/c1-2-9-19-15-10-13(7-8-14(15)17)18-12-5-3-11(16)4-6-12/h3-8,10H,2,9H2,1H3
InChIKeyIZMCNNDLTDXIMD-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene (CID 71398745) is 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene is CCCSc1cc(Oc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene?
The InChIKey is IZMCNNDLTDXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS/c1-2-9-19-15-10-13(7-8-14(15)17)18-12-5-3-11(16)4-6-12/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene?
1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene has a molecular weight of 313.25 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenoxy)-2-propylsulfanylbenzene is sourced from PubChem (CID 71398745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).