2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane

C25H24O4 — CID 90374577

IUPAC2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
SMILESCC1OC1COc1ccc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-17-25(29-17)16-28-23-12-8-21(9-13-23)19-4-2-18(3-5-19)20-6-10-22(11-7-20)26-14-24-15-27-24/h2-13,17,24-25H,14-16H2,1H3
InChIKeyJBTQVGQYMBBEMR-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.96
Rot. Bonds8

About 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane

2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane (PubChem CID 90374577) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
PubChem CID90374577
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane
SMILESCC1OC1COc1ccc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-17-25(29-17)16-28-23-12-8-21(9-13-23)19-4-2-18(3-5-19)20-6-10-22(11-7-20)26-14-24-15-27-24/h2-13,17,24-25H,14-16H2,1H3
InChIKeyJBTQVGQYMBBEMR-UHFFFAOYSA-N
XLogP4.96
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
1,3-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]propan-2-ol
CID 54276038
2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
CID 58165314
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
CID 59790994
3-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]methyl]dioxetane
CID 21044101
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane (CID 90374577) is 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane is CC1OC1COc1ccc(-c2ccc(-c3ccc(OCC4CO4)cc3)cc2)cc1.
What is the InChIKey of 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane?
The InChIKey is JBTQVGQYMBBEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-17-25(29-17)16-28-23-12-8-21(9-13-23)19-4-2-18(3-5-19)20-6-10-22(11-7-20)26-14-24-15-27-24/h2-13,17,24-25H,14-16H2,1H3.
What are the key properties of 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane?
2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane has a molecular weight of 388.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 90374577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).