2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

C22H28O4 — CID 23546553

IUPAC2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C22H28O4/c1-5-23-16(2)26-20-12-8-18(9-13-20)22(3,4)17-6-10-19(11-7-17)24-14-21-15-25-21/h6-13,16,21H,5,14-15H2,1-4H3
InChIKeyFLBSDQFCVFKVSV-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.55
Rot. Bonds9

About 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 23546553) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID23546553
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1
InChIInChI=1S/C22H28O4/c1-5-23-16(2)26-20-12-8-18(9-13-20)22(3,4)17-6-10-19(11-7-17)24-14-21-15-25-21/h6-13,16,21H,5,14-15H2,1-4H3
InChIKeyFLBSDQFCVFKVSV-UHFFFAOYSA-N
XLogP4.55
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
1-[[4-[2-[4-[1-[2-[2-[2-[2-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]cyclopropan-1-ol
CID 145295177
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20685097
2-[[4-[2-[4-[1-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxymethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[2-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[1-[1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]propan-2-yloxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane;2-[[4-[2-[4-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 160863873
4-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]propan-2-yl]phenol
CID 88996492
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 159105635
2-[1-[4-[2-[4-[2-(ethoxymethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yloxymethyl]oxirane
CID 130393295
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methane
CID 158673985
1-[4-[1-[4-(2-hydroxypropoxy)phenyl]-1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]ethyl]phenoxy]propan-2-ol
CID 57097261
2-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
1-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-3-propoxypropan-2-ol
CID 101202882
1,3-bis[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol;methanamine
CID 91550774

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 23546553) is 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is CCOC(C)Oc1ccc(C(C)(C)c2ccc(OCC3CO3)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is FLBSDQFCVFKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-5-23-16(2)26-20-12-8-18(9-13-20)22(3,4)17-6-10-19(11-7-17)24-14-21-15-25-21/h6-13,16,21H,5,14-15H2,1-4H3.
What are the key properties of 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 356.46 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 23546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).