1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione

C17H12O4 — CID 10540687

IUPAC1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H12O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h2-3,5-8,18-19H,1,4H2
InChIKeyCYMBUOAVRWMOOH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.60
Rot. Bonds2

About 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione

1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione (PubChem CID 10540687) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione.

Molecular Properties

Compound Name1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
PubChem CID10540687
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C17H12O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h2-3,5-8,18-19H,1,4H2
InChIKeyCYMBUOAVRWMOOH-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
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-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
CID 11023639
2-[(dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 20527645
2-[(2,4-dihydroxyphenyl)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 10316565
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
5-hydroxy-1-methoxy-9,10-dioxo-6-prop-2-enylanthracene-2-carbaldehyde
CID 100970608
2-(chloromethyl)-1,4,5-trihydroxyanthracene-9,10-dione
CID 95931121
(9,10-dioxo-2-prop-2-enylanthracen-1-yl) 2,2,2-trichloroacetate
CID 89317506
1-hydroxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10516857
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
CID 22833213
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione?
The IUPAC name of 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione (CID 10540687) is 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione.
What is the SMILES notation for 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione?
The canonical SMILES for 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione is C=CCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione?
The InChIKey is CYMBUOAVRWMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h2-3,5-8,18-19H,1,4H2.
What are the key properties of 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione?
1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione has a molecular weight of 280.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione is sourced from PubChem (CID 10540687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).