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

C25H30O4 — CID 23143354

IUPAC2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
SMILESCc1cc(C2CCC(c3ccc(OCC4CO4)cc3)CC2)ccc1OCC1CO1
InChIInChI=1S/C25H30O4/c1-17-12-21(8-11-25(17)29-16-24-15-28-24)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-13-23-14-27-23/h6-12,18,20,23-24H,2-5,13-16H2,1H3
InChIKeyXYVKNMATFQACIL-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.99
Rot. Bonds8

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

2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane (PubChem CID 23143354) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
PubChem CID23143354
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
SMILESCc1cc(C2CCC(c3ccc(OCC4CO4)cc3)CC2)ccc1OCC1CO1
InChIInChI=1S/C25H30O4/c1-17-12-21(8-11-25(17)29-16-24-15-28-24)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-13-23-14-27-23/h6-12,18,20,23-24H,2-5,13-16H2,1H3
InChIKeyXYVKNMATFQACIL-UHFFFAOYSA-N
XLogP4.99
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.99
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

2-[[4-[4-[4-(oxiran-2-ylmethoxy)-3-pentylphenyl]cyclohexyl]phenoxy]methyl]oxirane
CID 87427360
2-[[2-methyl-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59027775
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
ethane;2-[[4-[1-[4-(ethoxymethoxy)-3-methylphenyl]-1-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 176676139
2-[[2,6-dimethyl-4-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 142851433
2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 167599846
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
2-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]oxetane
CID 58165314
[3-methyl-4-[4-(oxiran-2-ylmethoxy)benzoyl]oxyphenyl] 4-(oxiran-2-ylmethoxy)benzoate
CID 21138311
2-[2-methyl-4-[3-[3-methyl-4-(oxiran-2-yloxy)phenyl]cyclopentyl]phenoxy]oxirane
CID 21303812
2-[[2-methyl-4-[2-(oxiran-2-ylmethoxy)ethyl]phenoxy]methyl]oxirane
CID 170966113

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane (CID 23143354) is 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane is Cc1cc(C2CCC(c3ccc(OCC4CO4)cc3)CC2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane?
The InChIKey is XYVKNMATFQACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-17-12-21(8-11-25(17)29-16-24-15-28-24)20-4-2-18(3-5-20)19-6-9-22(10-7-19)26-13-23-14-27-23/h6-12,18,20,23-24H,2-5,13-16H2,1H3.
What are the key properties of 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane?
2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane has a molecular weight of 394.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-[4-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 23143354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).