4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene

C17H19ClOS — CID 14404513

IUPAC4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene
SMILESCCCSc1cc(OCc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C17H19ClOS/c1-3-10-20-17-11-16(9-4-13(17)2)19-12-14-5-7-15(18)8-6-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyNVFAXWCPOPDRLR-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.73
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene

4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene (PubChem CID 14404513) has the molecular formula C17H19ClOS and a molecular weight of 306.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene
PubChem CID14404513
Molecular FormulaC17H19ClOS
Molecular Weight306.86 g/mol
Exact Mass306.08
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene
SMILESCCCSc1cc(OCc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C17H19ClOS/c1-3-10-20-17-11-16(9-4-13(17)2)19-12-14-5-7-15(18)8-6-14/h4-9,11H,3,10,12H2,1-2H3
InChIKeyNVFAXWCPOPDRLR-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene (CID 14404513) is 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene is CCCSc1cc(OCc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene?
The InChIKey is NVFAXWCPOPDRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClOS/c1-3-10-20-17-11-16(9-4-13(17)2)19-12-14-5-7-15(18)8-6-14/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene?
4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene has a molecular weight of 306.86 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-methyl-2-propylsulfanylbenzene is sourced from PubChem (CID 14404513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).