benzene-1,4-diol;bis(2-methylprop-2-enoic acid)

C14H18O6 — CID 66623566

IUPACbenzene-1,4-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h1-4,7-8H;2*1H2,2H3,(H,5,6)
InChIKeyOHFTUSKPNBYWLW-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.39
Rot. Bonds2

About benzene-1,4-diol;bis(2-methylprop-2-enoic acid)

benzene-1,4-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 66623566) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is benzene-1,4-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Namebenzene-1,4-diol;bis(2-methylprop-2-enoic acid)
PubChem CID66623566
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namebenzene-1,4-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h1-4,7-8H;2*1H2,2H3,(H,5,6)
InChIKeyOHFTUSKPNBYWLW-UHFFFAOYSA-N
XLogP2.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.39
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of benzene-1,4-diol;bis(2-methylprop-2-enoic acid) (CID 66623566) is benzene-1,4-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for benzene-1,4-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for benzene-1,4-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is OHFTUSKPNBYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2C4H6O2/c7-5-1-2-6(8)4-3-5;2*1-3(2)4(5)6/h1-4,7-8H;2*1H2,2H3,(H,5,6).
What are the key properties of benzene-1,4-diol;bis(2-methylprop-2-enoic acid)?
benzene-1,4-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 282.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 66623566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).