benzene-1,2-diol;bis(prop-2-enyl) carbonate

C13H16O5 — CID 23056283

IUPACbenzene-1,2-diol;bis(prop-2-enyl) carbonate
SMILESC=CCOC(=O)OCC=C.Oc1ccccc1O
InChIInChI=1S/C7H10O3.C6H6O2/c1-3-5-9-7(8)10-6-4-2;7-5-3-1-2-4-6(5)8/h3-4H,1-2,5-6H2;1-4,7-8H
InChIKeyPAODAHWOQXZLKT-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.61
Rot. Bonds4

About benzene-1,2-diol;bis(prop-2-enyl) carbonate

benzene-1,2-diol;bis(prop-2-enyl) carbonate (PubChem CID 23056283) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzene-1,2-diol;bis(prop-2-enyl) carbonate.

Molecular Properties

Compound Namebenzene-1,2-diol;bis(prop-2-enyl) carbonate
PubChem CID23056283
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namebenzene-1,2-diol;bis(prop-2-enyl) carbonate
SMILESC=CCOC(=O)OCC=C.Oc1ccccc1O
InChIInChI=1S/C7H10O3.C6H6O2/c1-3-5-9-7(8)10-6-4-2;7-5-3-1-2-4-6(5)8/h3-4H,1-2,5-6H2;1-4,7-8H
InChIKeyPAODAHWOQXZLKT-UHFFFAOYSA-N
XLogP2.61
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzene-1,2-diol;bis(prop-2-enyl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(prop-2-enyl) carbonate;ethene
CID 87465968
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
formic acid;prop-2-enyl benzoate
CID 174813743

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;bis(prop-2-enyl) carbonate?
The IUPAC name of benzene-1,2-diol;bis(prop-2-enyl) carbonate (CID 23056283) is benzene-1,2-diol;bis(prop-2-enyl) carbonate.
What is the SMILES notation for benzene-1,2-diol;bis(prop-2-enyl) carbonate?
The canonical SMILES for benzene-1,2-diol;bis(prop-2-enyl) carbonate is C=CCOC(=O)OCC=C.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;bis(prop-2-enyl) carbonate?
The InChIKey is PAODAHWOQXZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C6H6O2/c1-3-5-9-7(8)10-6-4-2;7-5-3-1-2-4-6(5)8/h3-4H,1-2,5-6H2;1-4,7-8H.
What are the key properties of benzene-1,2-diol;bis(prop-2-enyl) carbonate?
benzene-1,2-diol;bis(prop-2-enyl) carbonate has a molecular weight of 252.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;bis(prop-2-enyl) carbonate is sourced from PubChem (CID 23056283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).