anthracene-9,10-dione;ethane;4-methoxyphenol

C25H28O4 — CID 90695266

IUPACanthracene-9,10-dione;ethane;4-methoxyphenol
SMILESCC.CC.COc1ccc(O)cc1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C7H8O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-9-7-4-2-6(8)3-5-7;2*1-2/h1-8H;2-5,8H,1H3;2*1-2H3
InChIKeyNJNKCXKZFOQHKX-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.92
Rot. Bonds1

About anthracene-9,10-dione;ethane;4-methoxyphenol

anthracene-9,10-dione;ethane;4-methoxyphenol (PubChem CID 90695266) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is anthracene-9,10-dione;ethane;4-methoxyphenol.

Molecular Properties

Compound Nameanthracene-9,10-dione;ethane;4-methoxyphenol
PubChem CID90695266
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Nameanthracene-9,10-dione;ethane;4-methoxyphenol
SMILESCC.CC.COc1ccc(O)cc1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C7H8O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-9-7-4-2-6(8)3-5-7;2*1-2/h1-8H;2-5,8H,1H3;2*1-2H3
InChIKeyNJNKCXKZFOQHKX-UHFFFAOYSA-N
XLogP5.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze anthracene-9,10-dione;ethane;4-methoxyphenol 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

anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
benzene-1,2-diol;4-methoxyphenol
CID 70292826
methane;4-methoxyphenol
CID 159494332
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
10-(2-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10471763
2-(4-hydroxyphenyl)sulfinyl-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 15958441
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139590812
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
ethane;bis(fluoren-9-one);methanol
CID 162250310

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;ethane;4-methoxyphenol?
The IUPAC name of anthracene-9,10-dione;ethane;4-methoxyphenol (CID 90695266) is anthracene-9,10-dione;ethane;4-methoxyphenol.
What is the SMILES notation for anthracene-9,10-dione;ethane;4-methoxyphenol?
The canonical SMILES for anthracene-9,10-dione;ethane;4-methoxyphenol is CC.CC.COc1ccc(O)cc1.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;ethane;4-methoxyphenol?
The InChIKey is NJNKCXKZFOQHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C7H8O2.2C2H6/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-9-7-4-2-6(8)3-5-7;2*1-2/h1-8H;2-5,8H,1H3;2*1-2H3.
What are the key properties of anthracene-9,10-dione;ethane;4-methoxyphenol?
anthracene-9,10-dione;ethane;4-methoxyphenol has a molecular weight of 392.50 g/mol, XLogP of 5.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;ethane;4-methoxyphenol is sourced from PubChem (CID 90695266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).