anthracene-9,10-dione;ethyl prop-2-enoate

C19H16O4 — CID 70637632

IUPACanthracene-9,10-dione;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C5H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-5(6)7-4-2/h1-8H;3H,1,4H2,2H3
InChIKeyQMOIIGVOOOTUGV-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.20
Rot. Bonds2

About anthracene-9,10-dione;ethyl prop-2-enoate

anthracene-9,10-dione;ethyl prop-2-enoate (PubChem CID 70637632) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is anthracene-9,10-dione;ethyl prop-2-enoate.

Molecular Properties

Compound Nameanthracene-9,10-dione;ethyl prop-2-enoate
PubChem CID70637632
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Nameanthracene-9,10-dione;ethyl prop-2-enoate
SMILESC=CC(=O)OCC.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C5H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-5(6)7-4-2/h1-8H;3H,1,4H2,2H3
InChIKeyQMOIIGVOOOTUGV-UHFFFAOYSA-N
XLogP3.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
anthracene-9,10-dione;prop-2-enamide
CID 67819663
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482
ethene;ethyl prop-2-enoate;urea
CID 22098038
ethyl prop-2-enoate;2-(2-hydroxypropoxycarbonyl)benzoic acid
CID 174969580
chloroethene;ethene;ethyl prop-2-enoate
CID 86733401
ethyl 3-(1,4-dioxonaphthalen-2-yl)prop-2-enoate
CID 71425400
ethyl prop-2-enoate;1H-indene
CID 174624786
butyl prop-2-enoate;1,2-xylene
CID 70409011

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;ethyl prop-2-enoate?
The IUPAC name of anthracene-9,10-dione;ethyl prop-2-enoate (CID 70637632) is anthracene-9,10-dione;ethyl prop-2-enoate.
What is the SMILES notation for anthracene-9,10-dione;ethyl prop-2-enoate?
The canonical SMILES for anthracene-9,10-dione;ethyl prop-2-enoate is C=CC(=O)OCC.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;ethyl prop-2-enoate?
The InChIKey is QMOIIGVOOOTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C5H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-5(6)7-4-2/h1-8H;3H,1,4H2,2H3.
What are the key properties of anthracene-9,10-dione;ethyl prop-2-enoate?
anthracene-9,10-dione;ethyl prop-2-enoate has a molecular weight of 308.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;ethyl prop-2-enoate is sourced from PubChem (CID 70637632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).