benzene-1,4-diol;methyl prop-2-enoate

C10H12O4 — CID 161143106

IUPACbenzene-1,4-diol;methyl prop-2-enoate
SMILESC=CC(=O)OC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3-4(5)6-2/h1-4,7-8H;3H,1H2,2H3
InChIKeyUNRYRVPLFNZHMS-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.44
Rot. Bonds1

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

benzene-1,4-diol;methyl prop-2-enoate (PubChem CID 161143106) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is benzene-1,4-diol;methyl prop-2-enoate.

Molecular Properties

Compound Namebenzene-1,4-diol;methyl prop-2-enoate
PubChem CID161143106
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebenzene-1,4-diol;methyl prop-2-enoate
SMILESC=CC(=O)OC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3-4(5)6-2/h1-4,7-8H;3H,1H2,2H3
InChIKeyUNRYRVPLFNZHMS-UHFFFAOYSA-N
XLogP1.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
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

benzene-1,4-diol;bis(methyl prop-2-enoate)
CID 174482971
(4-hydroxyphenyl) prop-2-enoate;methoxymethane
CID 67882332
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
benzene;ethene;methyl prop-2-enoate
CID 174897686
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
azane;methyl prop-2-enoate;styrene
CID 70448676
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;methyl prop-2-enoate?
The IUPAC name of benzene-1,4-diol;methyl prop-2-enoate (CID 161143106) is benzene-1,4-diol;methyl prop-2-enoate.
What is the SMILES notation for benzene-1,4-diol;methyl prop-2-enoate?
The canonical SMILES for benzene-1,4-diol;methyl prop-2-enoate is C=CC(=O)OC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;methyl prop-2-enoate?
The InChIKey is UNRYRVPLFNZHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C4H6O2/c7-5-1-2-6(8)4-3-5;1-3-4(5)6-2/h1-4,7-8H;3H,1H2,2H3.
What are the key properties of benzene-1,4-diol;methyl prop-2-enoate?
benzene-1,4-diol;methyl prop-2-enoate has a molecular weight of 196.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;methyl prop-2-enoate is sourced from PubChem (CID 161143106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).