2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane

C28H24O3 — CID 154233131

IUPAC2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane
SMILESc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2OCC2CO2)cc1
InChIInChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,31-24-16-8-3-9-17-24)26-18-10-11-19-27(26)30-21-25-20-29-25/h1-19,25H,20-21H2
InChIKeyFVPVEKAESDYKRQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.84
Rot. Bonds8

About 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane

2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane (PubChem CID 154233131) has the molecular formula C28H24O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane
PubChem CID154233131
Molecular FormulaC28H24O3
Molecular Weight408.50 g/mol
Exact Mass408.17
IUPAC Name2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane
SMILESc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2OCC2CO2)cc1
InChIInChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,31-24-16-8-3-9-17-24)26-18-10-11-19-27(26)30-21-25-20-29-25/h1-19,25H,20-21H2
InChIKeyFVPVEKAESDYKRQ-UHFFFAOYSA-N
XLogP5.84
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 153368265
2-[[4-[2-[4-[1,1-bis[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 87592763
2-[[2-(1,1,2-tribromopropan-2-yl)phenoxy]methyl]oxirane
CID 88693967
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethene;2-(phenoxymethyl)oxirane
CID 135283522
1,3-ditert-butylbenzene;ethane;methane;bis(2-(phenoxymethyl)oxirane)
CID 160560023
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
carbanide;ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(yttrium)
CID 162167972
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 2308866
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane (CID 154233131) is 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane is c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2OCC2CO2)cc1.
What is the InChIKey of 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane?
The InChIKey is FVPVEKAESDYKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O3/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,31-24-16-8-3-9-17-24)26-18-10-11-19-27(26)30-21-25-20-29-25/h1-19,25H,20-21H2.
What are the key properties of 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane?
2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane has a molecular weight of 408.50 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[phenoxy(diphenyl)methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 154233131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).