dibenzo-p-dioxin-1-yl prop-2-enoate

C15H10O4 — CID 23056269

IUPACdibenzo-p-dioxin-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C15H10O4/c1-2-14(16)18-13-9-5-8-12-15(13)19-11-7-4-3-6-10(11)17-12/h2-9H,1H2
InChIKeyABDOUIKDOGKURI-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.68
Rot. Bonds2

About dibenzo-p-dioxin-1-yl prop-2-enoate

dibenzo-p-dioxin-1-yl prop-2-enoate (PubChem CID 23056269) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is dibenzo-p-dioxin-1-yl prop-2-enoate.

Molecular Properties

Compound Namedibenzo-p-dioxin-1-yl prop-2-enoate
PubChem CID23056269
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Namedibenzo-p-dioxin-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c1Oc1ccccc1O2
InChIInChI=1S/C15H10O4/c1-2-14(16)18-13-9-5-8-12-15(13)19-11-7-4-3-6-10(11)17-12/h2-9H,1H2
InChIKeyABDOUIKDOGKURI-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-1-yl prop-2-enoate?
The IUPAC name of dibenzo-p-dioxin-1-yl prop-2-enoate (CID 23056269) is dibenzo-p-dioxin-1-yl prop-2-enoate.
What is the SMILES notation for dibenzo-p-dioxin-1-yl prop-2-enoate?
The canonical SMILES for dibenzo-p-dioxin-1-yl prop-2-enoate is C=CC(=O)Oc1cccc2c1Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-1-yl prop-2-enoate?
The InChIKey is ABDOUIKDOGKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-2-14(16)18-13-9-5-8-12-15(13)19-11-7-4-3-6-10(11)17-12/h2-9H,1H2.
What are the key properties of dibenzo-p-dioxin-1-yl prop-2-enoate?
dibenzo-p-dioxin-1-yl prop-2-enoate has a molecular weight of 254.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-1-yl prop-2-enoate is sourced from PubChem (CID 23056269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).