1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione

C19H16O4 — CID 10086578

IUPAC1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(C=C(C)C)c1O)C2=O
InChIInChI=1S/C19H16O4/c1-10(2)9-11-7-8-13-16(17(11)20)19(22)15-12(18(13)21)5-4-6-14(15)23-3/h4-9,20H,1-3H3
InChIKeyMODRMMQPYUQKPK-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.60
Rot. Bonds2

About 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione

1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione (PubChem CID 10086578) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
PubChem CID10086578
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1c(ccc(C=C(C)C)c1O)C2=O
InChIInChI=1S/C19H16O4/c1-10(2)9-11-7-8-13-16(17(11)20)19(22)15-12(18(13)21)5-4-6-14(15)23-3/h4-9,20H,1-3H3
InChIKeyMODRMMQPYUQKPK-UHFFFAOYSA-N
XLogP3.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
1-hydroxy-8-methoxy-2-(3-oxobutanoyl)anthracene-9,10-dione
CID 11772093
1-hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione
CID 11109668
1-hydroxy-5-methoxy-2-prop-2-enylanthracene-9,10-dione
CID 100970620
1,5-dimethoxyfluoren-9-one
CID 19594782
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
1,5-dihydroxy-2-(2-methylprop-1-enyl)-6-(2-methylprop-2-enyl)anthracene-9,10-dione
CID 11078562
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
1-hydroxy-8-methoxy-2-(naphthalen-2-ylmethyl)anthracene-9,10-dione
CID 11003757
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
ethyl 1-hydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylate
CID 134937894

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione?
The IUPAC name of 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione (CID 10086578) is 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione is COc1cccc2c1C(=O)c1c(ccc(C=C(C)C)c1O)C2=O.
What is the InChIKey of 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione?
The InChIKey is MODRMMQPYUQKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-10(2)9-11-7-8-13-16(17(11)20)19(22)15-12(18(13)21)5-4-6-14(15)23-3/h4-9,20H,1-3H3.
What are the key properties of 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione?
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione has a molecular weight of 308.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione is sourced from PubChem (CID 10086578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).