bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane

C18H22O7 — CID 158653156

IUPACbis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C6H10O3.2C6H6O2/c1(5-3-8-5)7-2-6-4-9-6;2*7-5-1-2-6(8)4-3-5/h5-6H,1-4H2;2*1-4,7-8H
InChIKeyIBULZCSSGLIOPT-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.00
Rot. Bonds4

About bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane

bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 158653156) has the molecular formula C18H22O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namebis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID158653156
Molecular FormulaC18H22O7
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Namebis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.Oc1ccc(O)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C6H10O3.2C6H6O2/c1(5-3-8-5)7-2-6-4-9-6;2*7-5-1-2-6(8)4-3-5/h5-6H,1-4H2;2*1-4,7-8H
InChIKeyIBULZCSSGLIOPT-UHFFFAOYSA-N
XLogP2.00
TPSA115.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxyphenyl)ethyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22107305
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
4-[(4-hydroxyphenyl)-(oxiran-2-ylmethoxy)methyl]phenol
CID 57092971
4-[1-(4-hydroxyphenyl)-2-methylcyclohexyl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175043202
N-(4-hydroxyphenyl)-1-(oxiran-2-ylmethoxy)methanesulfonamide
CID 88749478
(3-hydroxyphenyl) hypochlorite;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174645892
2-(oxiran-2-ylmethoxymethyl)oxirane;3-phenylphenol
CID 86652086
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;1,4-xylene
CID 126511442
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enoic acid
CID 175055278
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane (CID 158653156) is bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.
What is the InChIKey of bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is IBULZCSSGLIOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2C6H6O2/c1(5-3-8-5)7-2-6-4-9-6;2*7-5-1-2-6(8)4-3-5/h5-6H,1-4H2;2*1-4,7-8H.
What are the key properties of bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane?
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 350.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 158653156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).