1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione

C20H16O4 — CID 11023639

IUPAC1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCOc1cccc2c1C(=O)c1ccc(CC=C)c(O)c1C2=O
InChIInChI=1S/C20H16O4/c1-3-6-12-9-10-14-17(18(12)21)20(23)13-7-5-8-15(24-11-4-2)16(13)19(14)22/h3-5,7-10,21H,1-2,6,11H2
InChIKeyHOWDELRZDYUOCL-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.46
Rot. Bonds5

About 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione

1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione (PubChem CID 11023639) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
PubChem CID11023639
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCOc1cccc2c1C(=O)c1ccc(CC=C)c(O)c1C2=O
InChIInChI=1S/C20H16O4/c1-3-6-12-9-10-14-17(18(12)21)20(23)13-7-5-8-15(24-11-4-2)16(13)19(14)22/h3-5,7-10,21H,1-2,6,11H2
InChIKeyHOWDELRZDYUOCL-UHFFFAOYSA-N
XLogP3.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
CID 10540687
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
5-hydroxy-1-methoxy-9,10-dioxo-6-prop-2-enylanthracene-2-carbaldehyde
CID 100970608
2-(1,2-dihydroxypropyl)-1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970606
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
(9,10-dioxo-2-prop-2-enylanthracen-1-yl) 2,2,2-trichloroacetate
CID 89317506
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione (CID 11023639) is 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione is C=CCOc1cccc2c1C(=O)c1ccc(CC=C)c(O)c1C2=O.
What is the InChIKey of 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione?
The InChIKey is HOWDELRZDYUOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-3-6-12-9-10-14-17(18(12)21)20(23)13-7-5-8-15(24-11-4-2)16(13)19(14)22/h3-5,7-10,21H,1-2,6,11H2.
What are the key properties of 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione?
1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione has a molecular weight of 320.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione is sourced from PubChem (CID 11023639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).