1-[(E)-hex-2-enoxy]anthracene-9,10-dione

C20H18O3 — CID 15716447

IUPAC1-[(E)-hex-2-enoxy]anthracene-9,10-dione
SMILESCCC/C=C/COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18O3/c1-2-3-4-7-13-23-17-12-8-11-16-18(17)20(22)15-10-6-5-9-14(15)19(16)21/h4-12H,2-3,13H2,1H3/b7-4+
InChIKeyMODAKDOPBZXTQU-QPJJXVBHSA-N
MW306.36 g/mol
LogP4.20
Rot. Bonds5

About 1-[(E)-hex-2-enoxy]anthracene-9,10-dione

1-[(E)-hex-2-enoxy]anthracene-9,10-dione (PubChem CID 15716447) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(E)-hex-2-enoxy]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[(E)-hex-2-enoxy]anthracene-9,10-dione
PubChem CID15716447
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name1-[(E)-hex-2-enoxy]anthracene-9,10-dione
SMILESCCC/C=C/COc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18O3/c1-2-3-4-7-13-23-17-12-8-11-16-18(17)20(22)15-10-6-5-9-14(15)19(16)21/h4-12H,2-3,13H2,1H3/b7-4+
InChIKeyMODAKDOPBZXTQU-QPJJXVBHSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.20
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-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
2-hex-2-enoxyphenol
CID 57375343
N'-[2-(9,10-dioxoanthracen-1-yl)oxyacetyl]hexanehydrazide
CID 102264049
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
1-trimethylsilyloxyanthracene-9,10-dione
CID 14923189
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
3-(9,10-dioxoanthracen-1-yl)oxypropanenitrile
CID 160717231
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416
1,2-diethoxyanthracene-9,10-dione
CID 71414980

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-2-enoxy]anthracene-9,10-dione?
The IUPAC name of 1-[(E)-hex-2-enoxy]anthracene-9,10-dione (CID 15716447) is 1-[(E)-hex-2-enoxy]anthracene-9,10-dione.
What is the SMILES notation for 1-[(E)-hex-2-enoxy]anthracene-9,10-dione?
The canonical SMILES for 1-[(E)-hex-2-enoxy]anthracene-9,10-dione is CCC/C=C/COc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-[(E)-hex-2-enoxy]anthracene-9,10-dione?
The InChIKey is MODAKDOPBZXTQU-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-3-4-7-13-23-17-12-8-11-16-18(17)20(22)15-10-6-5-9-14(15)19(16)21/h4-12H,2-3,13H2,1H3/b7-4+.
What are the key properties of 1-[(E)-hex-2-enoxy]anthracene-9,10-dione?
1-[(E)-hex-2-enoxy]anthracene-9,10-dione has a molecular weight of 306.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-2-enoxy]anthracene-9,10-dione is sourced from PubChem (CID 15716447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).