1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene

C14H22O4S — CID 167930009

IUPAC1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
SMILESCCC(CC)S(=O)(=O)CCOc1ccccc1OC
InChIInChI=1S/C14H22O4S/c1-4-12(5-2)19(15,16)11-10-18-14-9-7-6-8-13(14)17-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyZYJBIBCUHVOQMR-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.68
Rot. Bonds8

About 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene

1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene (PubChem CID 167930009) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
PubChem CID167930009
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
SMILESCCC(CC)S(=O)(=O)CCOc1ccccc1OC
InChIInChI=1S/C14H22O4S/c1-4-12(5-2)19(15,16)11-10-18-14-9-7-6-8-13(14)17-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyZYJBIBCUHVOQMR-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene?
The IUPAC name of 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene (CID 167930009) is 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene.
What is the SMILES notation for 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene?
The canonical SMILES for 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene is CCC(CC)S(=O)(=O)CCOc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene?
The InChIKey is ZYJBIBCUHVOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S/c1-4-12(5-2)19(15,16)11-10-18-14-9-7-6-8-13(14)17-3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene?
1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene has a molecular weight of 286.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene is sourced from PubChem (CID 167930009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).