1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione

C28H18O5 — CID 71598400

IUPAC1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione
SMILESO=C(COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H18O5/c29-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-33-24-15-14-22-25(28(24)32)27(31)21-9-5-4-8-20(21)26(22)30/h1-15,32H,16H2
InChIKeyCJJMHRAFORPKSO-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.10
Rot. Bonds5

About 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione

1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione (PubChem CID 71598400) has the molecular formula C28H18O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione
PubChem CID71598400
Molecular FormulaC28H18O5
Molecular Weight434.45 g/mol
Exact Mass434.12
IUPAC Name1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione
SMILESO=C(COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H18O5/c29-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-33-24-15-14-22-25(28(24)32)27(31)21-9-5-4-8-20(21)26(22)30/h1-15,32H,16H2
InChIKeyCJJMHRAFORPKSO-UHFFFAOYSA-N
XLogP5.10
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-bromophenyl)-2-oxoethoxy]-1-hydroxyanthracene-9,10-dione
CID 71598368
2-(1-hydroxy-9,10-dioxoanthracen-2-yl)oxyacetic acid
CID 20527657
(1-hydroxy-9,10-dioxoanthracen-2-yl) hydrogen sulfate
CID 22134392
(1-hydroxy-9,10-dioxoanthracen-2-yl) 3,4-dichlorobenzoate
CID 71597638
9,10-dioxo-2-phenylmethoxyanthracene-1-carboxylic acid
CID 150017860
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
(1S,2S,6R,7R)-4-[2-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 41039080
3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
CID 51060089
1,2-dihydroxyanthracene-9,10-dione;ethanol
CID 68974663

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione?
The IUPAC name of 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione (CID 71598400) is 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione is O=C(COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione?
The InChIKey is CJJMHRAFORPKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O5/c29-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-33-24-15-14-22-25(28(24)32)27(31)21-9-5-4-8-20(21)26(22)30/h1-15,32H,16H2.
What are the key properties of 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione?
1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione has a molecular weight of 434.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]anthracene-9,10-dione is sourced from PubChem (CID 71598400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).