oxirane;phenol;bis(prop-2-enoic acid)

C14H18O6 — CID 158727364

IUPACoxirane;phenol;bis(prop-2-enoic acid)
SMILESC1CO1.C=CC(=O)O.C=CC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.2C3H4O2.C2H4O/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;1-2-3-1/h1-5,7H;2*2H,1H2,(H,4,5);1-2H2
InChIKeyIKRFGLJHERBDON-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.92
Rot. Bonds2

About oxirane;phenol;bis(prop-2-enoic acid)

oxirane;phenol;bis(prop-2-enoic acid) (PubChem CID 158727364) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is oxirane;phenol;bis(prop-2-enoic acid).

Molecular Properties

Compound Nameoxirane;phenol;bis(prop-2-enoic acid)
PubChem CID158727364
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Nameoxirane;phenol;bis(prop-2-enoic acid)
SMILESC1CO1.C=CC(=O)O.C=CC(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.2C3H4O2.C2H4O/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;1-2-3-1/h1-5,7H;2*2H,1H2,(H,4,5);1-2H2
InChIKeyIKRFGLJHERBDON-UHFFFAOYSA-N
XLogP1.92
TPSA107.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxirane;phenol;bis(prop-2-enoic acid) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxirane;phenol;bis(prop-2-enoic acid)?
The IUPAC name of oxirane;phenol;bis(prop-2-enoic acid) (CID 158727364) is oxirane;phenol;bis(prop-2-enoic acid).
What is the SMILES notation for oxirane;phenol;bis(prop-2-enoic acid)?
The canonical SMILES for oxirane;phenol;bis(prop-2-enoic acid) is C1CO1.C=CC(=O)O.C=CC(=O)O.Oc1ccccc1.
What is the InChIKey of oxirane;phenol;bis(prop-2-enoic acid)?
The InChIKey is IKRFGLJHERBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C3H4O2.C2H4O/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;1-2-3-1/h1-5,7H;2*2H,1H2,(H,4,5);1-2H2.
What are the key properties of oxirane;phenol;bis(prop-2-enoic acid)?
oxirane;phenol;bis(prop-2-enoic acid) has a molecular weight of 282.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;phenol;bis(prop-2-enoic acid) is sourced from PubChem (CID 158727364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).