1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene

C18H22O2S — CID 66880451

IUPAC1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene
SMILESCOCCc1ccccc1Sc1ccccc1CCOC
InChIInChI=1S/C18H22O2S/c1-19-13-11-15-7-3-5-9-17(15)21-18-10-6-4-8-16(18)12-14-20-2/h3-10H,11-14H2,1-2H3
InChIKeyJOMYOFRUCRZIFI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.22
Rot. Bonds8

About 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene

1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene (PubChem CID 66880451) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene
PubChem CID66880451
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene
SMILESCOCCc1ccccc1Sc1ccccc1CCOC
InChIInChI=1S/C18H22O2S/c1-19-13-11-15-7-3-5-9-17(15)21-18-10-6-4-8-16(18)12-14-20-2/h3-10H,11-14H2,1-2H3
InChIKeyJOMYOFRUCRZIFI-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene (CID 66880451) is 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene is COCCc1ccccc1Sc1ccccc1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene?
The InChIKey is JOMYOFRUCRZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-19-13-11-15-7-3-5-9-17(15)21-18-10-6-4-8-16(18)12-14-20-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene?
1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene has a molecular weight of 302.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-(2-methoxyethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 66880451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).