benzene-1,4-diol;bis(methyl prop-2-enoate)

C14H18O6 — CID 174482971

IUPACbenzene-1,4-diol;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3-4(5)6-2/h1-4,7-8H;2*3H,1H2,2H3
InChIKeyHCARMNXYWIWSDH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.79
Rot. Bonds2

About benzene-1,4-diol;bis(methyl prop-2-enoate)

benzene-1,4-diol;bis(methyl prop-2-enoate) (PubChem CID 174482971) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is benzene-1,4-diol;bis(methyl prop-2-enoate).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(methyl prop-2-enoate)
PubChem CID174482971
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namebenzene-1,4-diol;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3-4(5)6-2/h1-4,7-8H;2*3H,1H2,2H3
InChIKeyHCARMNXYWIWSDH-UHFFFAOYSA-N
XLogP1.79
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(methyl prop-2-enoate)?
The IUPAC name of benzene-1,4-diol;bis(methyl prop-2-enoate) (CID 174482971) is benzene-1,4-diol;bis(methyl prop-2-enoate).
What is the SMILES notation for benzene-1,4-diol;bis(methyl prop-2-enoate)?
The canonical SMILES for benzene-1,4-diol;bis(methyl prop-2-enoate) is C=CC(=O)OC.C=CC(=O)OC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(methyl prop-2-enoate)?
The InChIKey is HCARMNXYWIWSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3-4(5)6-2/h1-4,7-8H;2*3H,1H2,2H3.
What are the key properties of benzene-1,4-diol;bis(methyl prop-2-enoate)?
benzene-1,4-diol;bis(methyl prop-2-enoate) has a molecular weight of 282.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(methyl prop-2-enoate) is sourced from PubChem (CID 174482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).