benzene-1,4-diol;2-methylprop-2-enoic acid

C10H12O4 — CID 69210285

IUPACbenzene-1,4-diol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3(2)4(5)6/h1-4,7-8H;1H2,2H3,(H,5,6)
InChIKeySBRNNFKJRZCFRF-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.74
Rot. Bonds1

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

benzene-1,4-diol;2-methylprop-2-enoic acid (PubChem CID 69210285) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is benzene-1,4-diol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;2-methylprop-2-enoic acid
PubChem CID69210285
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebenzene-1,4-diol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3(2)4(5)6/h1-4,7-8H;1H2,2H3,(H,5,6)
InChIKeySBRNNFKJRZCFRF-UHFFFAOYSA-N
XLogP1.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;2-methylprop-2-enoic acid?
The IUPAC name of benzene-1,4-diol;2-methylprop-2-enoic acid (CID 69210285) is benzene-1,4-diol;2-methylprop-2-enoic acid.
What is the SMILES notation for benzene-1,4-diol;2-methylprop-2-enoic acid?
The canonical SMILES for benzene-1,4-diol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;2-methylprop-2-enoic acid?
The InChIKey is SBRNNFKJRZCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3(2)4(5)6/h1-4,7-8H;1H2,2H3,(H,5,6).
What are the key properties of benzene-1,4-diol;2-methylprop-2-enoic acid?
benzene-1,4-diol;2-methylprop-2-enoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;2-methylprop-2-enoic acid is sourced from PubChem (CID 69210285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).