1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione

C20H20O4 — CID 102574994

IUPAC1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione
SMILESCCCOc1cc(CCC)c(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20O4/c1-3-7-12-11-15(24-10-4-2)16-17(18(12)21)20(23)14-9-6-5-8-13(14)19(16)22/h5-6,8-9,11,21H,3-4,7,10H2,1-2H3
InChIKeyQGHANAKRPYMDTG-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.91
Rot. Bonds5

About 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione

1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione (PubChem CID 102574994) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione
PubChem CID102574994
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione
SMILESCCCOc1cc(CCC)c(O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H20O4/c1-3-7-12-11-15(24-10-4-2)16-17(18(12)21)20(23)14-9-6-5-8-13(14)19(16)22/h5-6,8-9,11,21H,3-4,7,10H2,1-2H3
InChIKeyQGHANAKRPYMDTG-UHFFFAOYSA-N
XLogP3.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.91
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

4-decoxy-1,2-dihydroxyanthracene-9,10-dione
CID 134215182
4-[4-(3,4-dihydroxy-9,10-dioxoanthracen-1-yl)oxybutoxy]-1,2-dihydroxyanthracene-9,10-dione
CID 53241264
1-amino-4-hydroxy-2-pentoxyanthracene-9,10-dione
CID 20695780
3-propoxy-4-propylphenol
CID 22123839
1-amino-2-decoxy-4-hydroxyanthracene-9,10-dione
CID 90068747
1,4,5,7-tetrahydroxy-2-propylanthracene-9,10-dione
CID 163112840
3-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)propanenitrile
CID 134937232
1-propoxy-10H-anthracen-9-one
CID 70009381
2-[(2R)-2-ethyl-2-hydroxy-3-oxobutyl]-1,4-dihydroxyanthracene-9,10-dione
CID 155468795
2-(3,4-dihydroxy-9,10-dioxoanthracen-1-yl)oxyhexanoic acid
CID 53241461
1-(4-chlorobutoxy)-4-hydroxyanthracene-9,10-dione
CID 54131296
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione (CID 102574994) is 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione is CCCOc1cc(CCC)c(O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione?
The InChIKey is QGHANAKRPYMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-3-7-12-11-15(24-10-4-2)16-17(18(12)21)20(23)14-9-6-5-8-13(14)19(16)22/h5-6,8-9,11,21H,3-4,7,10H2,1-2H3.
What are the key properties of 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione?
1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione has a molecular weight of 324.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-propoxy-2-propylanthracene-9,10-dione is sourced from PubChem (CID 102574994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).