1-(3-methylbut-2-enoxy)anthracene-9,10-dione

C19H16O3 — CID 86244771

IUPAC1-(3-methylbut-2-enoxy)anthracene-9,10-dione
SMILESCC(C)=CCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H16O3/c1-12(2)10-11-22-16-9-5-8-15-17(16)19(21)14-7-4-3-6-13(14)18(15)20/h3-10H,11H2,1-2H3
InChIKeyNEMMSCDYGIZXSE-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.81
Rot. Bonds3

About 1-(3-methylbut-2-enoxy)anthracene-9,10-dione

1-(3-methylbut-2-enoxy)anthracene-9,10-dione (PubChem CID 86244771) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3-methylbut-2-enoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(3-methylbut-2-enoxy)anthracene-9,10-dione
PubChem CID86244771
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name1-(3-methylbut-2-enoxy)anthracene-9,10-dione
SMILESCC(C)=CCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H16O3/c1-12(2)10-11-22-16-9-5-8-15-17(16)19(21)14-7-4-3-6-13(14)18(15)20/h3-10H,11H2,1-2H3
InChIKeyNEMMSCDYGIZXSE-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hex-2-enoxy]anthracene-9,10-dione
CID 15716447
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
8-hydroxy-2-(3-methylbut-2-enoxy)naphthalene-1,4-dione
CID 46885663
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
3-(9,10-dioxoanthracen-1-yl)oxypropanenitrile
CID 160717231

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enoxy)anthracene-9,10-dione?
The IUPAC name of 1-(3-methylbut-2-enoxy)anthracene-9,10-dione (CID 86244771) is 1-(3-methylbut-2-enoxy)anthracene-9,10-dione.
What is the SMILES notation for 1-(3-methylbut-2-enoxy)anthracene-9,10-dione?
The canonical SMILES for 1-(3-methylbut-2-enoxy)anthracene-9,10-dione is CC(C)=CCOc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(3-methylbut-2-enoxy)anthracene-9,10-dione?
The InChIKey is NEMMSCDYGIZXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-12(2)10-11-22-16-9-5-8-15-17(16)19(21)14-7-4-3-6-13(14)18(15)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enoxy)anthracene-9,10-dione?
1-(3-methylbut-2-enoxy)anthracene-9,10-dione has a molecular weight of 292.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enoxy)anthracene-9,10-dione is sourced from PubChem (CID 86244771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).