1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione

C22H20O4 — CID 11078562

IUPAC1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione
SMILESC=C(C)Cc1ccc2c(c1O)C(=O)c1ccc(C=C(C)C)c(O)c1C2=O
InChIInChI=1S/C22H20O4/c1-11(2)9-13-5-7-15-17(19(13)23)21(25)16-8-6-14(10-12(3)4)20(24)18(16)22(15)26/h5-8,10,23-24H,1,9H2,2-4H3
InChIKeyRBGLHHLNXSYEGF-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds3

About 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione

1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione (PubChem CID 11078562) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione
PubChem CID11078562
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione
SMILESC=C(C)Cc1ccc2c(c1O)C(=O)c1ccc(C=C(C)C)c(O)c1C2=O
InChIInChI=1S/C22H20O4/c1-11(2)9-13-5-7-15-17(19(13)23)21(25)16-8-6-14(10-12(3)4)20(24)18(16)22(15)26/h5-8,10,23-24H,1,9H2,2-4H3
InChIKeyRBGLHHLNXSYEGF-UHFFFAOYSA-N
XLogP4.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
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-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
5-hydroxy-1-methoxy-9,10-dioxo-6-prop-2-enylanthracene-2-carbaldehyde
CID 100970608
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
1-hydroxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10516857
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
2-[(E)-6-bromo-3,3,5-trimethyl-2-oxohex-5-enyl]-1-hydroxyanthracene-9,10-dione
CID 174152812
2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
CID 56934567
1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
CID 10540687
N-[4,8-dihydroxy-3,7-bis(2-methylpropyl)-9,10-dioxoanthracen-1-yl]-2-methylprop-2-enamide
CID 14366315
1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
CID 11023639
10-ethyl-1,5,6,9,14-pentahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
CID 50925548
2-[(dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 20527645

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione?
The IUPAC name of 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione (CID 11078562) is 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione.
What is the SMILES notation for 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione?
The canonical SMILES for 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione is C=C(C)Cc1ccc2c(c1O)C(=O)c1ccc(C=C(C)C)c(O)c1C2=O.
What is the InChIKey of 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione?
The InChIKey is RBGLHHLNXSYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-11(2)9-13-5-7-15-17(19(13)23)21(25)16-8-6-14(10-12(3)4)20(24)18(16)22(15)26/h5-8,10,23-24H,1,9H2,2-4H3.
What are the key properties of 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione?
1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione has a molecular weight of 348.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione is sourced from PubChem (CID 11078562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).