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

C18H14O4 — CID 100970620

IUPAC1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCc1ccc2c(c1O)C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)11-6-4-7-13(22-2)14(11)17(12)20/h3-4,6-9,19H,1,5H2,2H3
InChIKeyQTHCRGXKCBRPNG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.90
Rot. Bonds3

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

1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione (PubChem CID 100970620) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
PubChem CID100970620
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
SMILESC=CCc1ccc2c(c1O)C(=O)c1cccc(OC)c1C2=O
InChIInChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)11-6-4-7-13(22-2)14(11)17(12)20/h3-4,6-9,19H,1,5H2,2H3
InChIKeyQTHCRGXKCBRPNG-UHFFFAOYSA-N
XLogP2.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.90
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-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
CID 11023639
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
1,8-dihydroxy-2-prop-2-enylanthracene-9,10-dione
CID 10540687
5-hydroxy-1-methoxy-9,10-dioxo-6-prop-2-enylanthracene-2-carbaldehyde
CID 100970608
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1,5-dimethoxyfluoren-9-one
CID 19594782
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894
1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
CID 11003757
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
2-(2-methoxyphenoxy)-6-prop-2-enylphenol
CID 22672183
methyl 2-(1,4-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)acetate
CID 95931027
(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione (CID 100970620) is 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione is C=CCc1ccc2c(c1O)C(=O)c1cccc(OC)c1C2=O.
What is the InChIKey of 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione?
The InChIKey is QTHCRGXKCBRPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)11-6-4-7-13(22-2)14(11)17(12)20/h3-4,6-9,19H,1,5H2,2H3.
What are the key properties of 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione?
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione has a molecular weight of 294.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione is sourced from PubChem (CID 100970620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).