2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane

C28H30O4 — CID 146491565

IUPAC2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
SMILESc1cc(Cc2ccc(Cc3ccc(COCC4CO4)cc3)cc2)ccc1COCC1CO1
InChIInChI=1S/C28H30O4/c1-2-22(14-24-7-11-26(12-8-24)16-30-18-28-20-32-28)4-3-21(1)13-23-5-9-25(10-6-23)15-29-17-27-19-31-27/h1-12,27-28H,13-20H2
InChIKeyTXALUTKQNJTTTC-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.70
Rot. Bonds12

About 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane

2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane (PubChem CID 146491565) has the molecular formula C28H30O4 and a molecular weight of 430.54 g/mol. Its IUPAC name is 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
PubChem CID146491565
Molecular FormulaC28H30O4
Molecular Weight430.54 g/mol
Exact Mass430.21
IUPAC Name2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
SMILESc1cc(Cc2ccc(Cc3ccc(COCC4CO4)cc3)cc2)ccc1COCC1CO1
InChIInChI=1S/C28H30O4/c1-2-22(14-24-7-11-26(12-8-24)16-30-18-28-20-32-28)4-3-21(1)13-23-5-9-25(10-6-23)15-29-17-27-19-31-27/h1-12,27-28H,13-20H2
InChIKeyTXALUTKQNJTTTC-UHFFFAOYSA-N
XLogP4.70
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.70
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-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
(2R)-2-[(4-methylsulfonylphenyl)methoxymethyl]oxirane
CID 97180094
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethoxymethyl)oxirane
CID 167171988
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113
(2S)-2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 97180071
2-[(3-chloro-4-fluorophenyl)methoxymethyl]oxirane
CID 102548209
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane?
The IUPAC name of 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane (CID 146491565) is 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane.
What is the SMILES notation for 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane?
The canonical SMILES for 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane is c1cc(Cc2ccc(Cc3ccc(COCC4CO4)cc3)cc2)ccc1COCC1CO1.
What is the InChIKey of 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane?
The InChIKey is TXALUTKQNJTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O4/c1-2-22(14-24-7-11-26(12-8-24)16-30-18-28-20-32-28)4-3-21(1)13-23-5-9-25(10-6-23)15-29-17-27-19-31-27/h1-12,27-28H,13-20H2.
What are the key properties of 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane?
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane has a molecular weight of 430.54 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane is sourced from PubChem (CID 146491565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).