ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate

C18H14O5 — CID 11289858

IUPACethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
SMILESCCOC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H14O5/c1-2-22-15(19)10-23-14-9-5-8-13-16(14)18(21)12-7-4-3-6-11(12)17(13)20/h3-9H,2,10H2,1H3
InChIKeyVCDFCALWLUWSRP-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate

ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate (PubChem CID 11289858) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
PubChem CID11289858
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Nameethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
SMILESCCOC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H14O5/c1-2-22-15(19)10-23-14-9-5-8-13-16(14)18(21)12-7-4-3-6-11(12)17(13)20/h3-9H,2,10H2,1H3
InChIKeyVCDFCALWLUWSRP-UHFFFAOYSA-N
XLogP2.40
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
(9,10-dioxoanthracen-1-yl) 2-methylidenebutanoate
CID 18175784
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate?
The IUPAC name of ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate (CID 11289858) is ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate?
The canonical SMILES for ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate is CCOC(=O)COc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate?
The InChIKey is VCDFCALWLUWSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-22-15(19)10-23-14-9-5-8-13-16(14)18(21)12-7-4-3-6-11(12)17(13)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate?
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate has a molecular weight of 310.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate is sourced from PubChem (CID 11289858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).