benzene-1,4-diol;methoxymethane;prop-2-enoic acid

C11H16O5 — CID 67882333

IUPACbenzene-1,4-diol;methoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C3H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-3(4)5;1-3-2/h1-4,7-8H;2H,1H2,(H,4,5);1-2H3
InChIKeyOUNOXEATCMIUML-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.62
Rot. Bonds1

About benzene-1,4-diol;methoxymethane;prop-2-enoic acid

benzene-1,4-diol;methoxymethane;prop-2-enoic acid (PubChem CID 67882333) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is benzene-1,4-diol;methoxymethane;prop-2-enoic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;methoxymethane;prop-2-enoic acid
PubChem CID67882333
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namebenzene-1,4-diol;methoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C3H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-3(4)5;1-3-2/h1-4,7-8H;2H,1H2,(H,4,5);1-2H3
InChIKeyOUNOXEATCMIUML-UHFFFAOYSA-N
XLogP1.62
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;prop-2-enoic acid
CID 22665045
benzene;phenol;prop-2-enoic acid
CID 174875932
benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
benzene-1,4-diol;methyl prop-2-enoate
CID 161143106
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
prop-2-enoic acid;1,4-xylene
CID 67822281
oxirane;phenol;bis(prop-2-enoic acid)
CID 158727364
methanol;prop-2-enoic acid
CID 159043362
bis(benzene-1,4-diol);carbonic acid
CID 68999082

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;methoxymethane;prop-2-enoic acid?
The IUPAC name of benzene-1,4-diol;methoxymethane;prop-2-enoic acid (CID 67882333) is benzene-1,4-diol;methoxymethane;prop-2-enoic acid.
What is the SMILES notation for benzene-1,4-diol;methoxymethane;prop-2-enoic acid?
The canonical SMILES for benzene-1,4-diol;methoxymethane;prop-2-enoic acid is C=CC(=O)O.COC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;methoxymethane;prop-2-enoic acid?
The InChIKey is OUNOXEATCMIUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H4O2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-3(4)5;1-3-2/h1-4,7-8H;2H,1H2,(H,4,5);1-2H3.
What are the key properties of benzene-1,4-diol;methoxymethane;prop-2-enoic acid?
benzene-1,4-diol;methoxymethane;prop-2-enoic acid has a molecular weight of 228.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;methoxymethane;prop-2-enoic acid is sourced from PubChem (CID 67882333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).