2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane

C18H20O4S — CID 137484879

IUPAC2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
SMILESCCOCOc1ccc(Sc2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C18H20O4S/c1-2-19-13-22-15-5-9-18(10-6-15)23-17-7-3-14(4-8-17)20-11-16-12-21-16/h3-10,16H,2,11-13H2,1H3
InChIKeyUZFGIOMEZCJDHN-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.99
Rot. Bonds9

About 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane

2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane (PubChem CID 137484879) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
PubChem CID137484879
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
SMILESCCOCOc1ccc(Sc2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C18H20O4S/c1-2-19-13-22-15-5-9-18(10-6-15)23-17-7-3-14(4-8-17)20-11-16-12-21-16/h3-10,16H,2,11-13H2,1H3
InChIKeyUZFGIOMEZCJDHN-UHFFFAOYSA-N
XLogP3.99
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
CID 143216259
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
CID 21248194
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
ethoxyethane;4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 87178534
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[3-(ethoxymethoxy)-5-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]oxetane
CID 130450450
2-[[4-[4-(ethoxymethoxy)phenyl]cyclohexa-1,2,3,5-tetraen-1-yl]oxymethyl]oxirane
CID 166798792
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane (CID 137484879) is 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane is CCOCOc1ccc(Sc2ccc(OCC3CO3)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane?
The InChIKey is UZFGIOMEZCJDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S/c1-2-19-13-22-15-5-9-18(10-6-15)23-17-7-3-14(4-8-17)20-11-16-12-21-16/h3-10,16H,2,11-13H2,1H3.
What are the key properties of 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane?
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane has a molecular weight of 332.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane is sourced from PubChem (CID 137484879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).