2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol

C32H32O7 — CID 155195839

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol
SMILESC(OCC1CO1)C1CO1.Oc1ccccc1CC(c1ccccc1O)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C26H22O4.C6H10O3/c27-22-13-5-1-9-18(22)17-26(19-10-2-6-14-23(19)28,20-11-3-7-15-24(20)29)21-12-4-8-16-25(21)30;1(5-3-8-5)7-2-6-4-9-6/h1-16,27-30H,17H2;5-6H,1-4H2
InChIKeyMMKNKSKMRYVDNN-UHFFFAOYSA-N
MW528.60 g/mol
LogP4.89
Rot. Bonds9

About 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol

2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol (PubChem CID 155195839) has the molecular formula C32H32O7 and a molecular weight of 528.60 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol
PubChem CID155195839
Molecular FormulaC32H32O7
Molecular Weight528.60 g/mol
Exact Mass528.21
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol
SMILESC(OCC1CO1)C1CO1.Oc1ccccc1CC(c1ccccc1O)(c1ccccc1O)c1ccccc1O
InChIInChI=1S/C26H22O4.C6H10O3/c27-22-13-5-1-9-18(22)17-26(19-10-2-6-14-23(19)28,20-11-3-7-15-24(20)29)21-12-4-8-16-25(21)30;1(5-3-8-5)7-2-6-4-9-6/h1-16,27-30H,17H2;5-6H,1-4H2
InChIKeyMMKNKSKMRYVDNN-UHFFFAOYSA-N
XLogP4.89
TPSA115.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.60
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol (CID 155195839) is 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol is C(OCC1CO1)C1CO1.Oc1ccccc1CC(c1ccccc1O)(c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol?
The InChIKey is MMKNKSKMRYVDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4.C6H10O3/c27-22-13-5-1-9-18(22)17-26(19-10-2-6-14-23(19)28,20-11-3-7-15-24(20)29)21-12-4-8-16-25(21)30;1(5-3-8-5)7-2-6-4-9-6/h1-16,27-30H,17H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol?
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol has a molecular weight of 528.60 g/mol, XLogP of 4.89, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;2-[2,2,2-tris(2-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 155195839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).