anthracene-9,10-dione;propane

C17H16O2 — CID 162068050

IUPACanthracene-9,10-dione;propane
SMILESCCC.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C3H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-2/h1-8H;3H2,1-2H3
InChIKeyZASCFEHNNLJDEF-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.88
Rot. Bonds

About anthracene-9,10-dione;propane

anthracene-9,10-dione;propane (PubChem CID 162068050) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is anthracene-9,10-dione;propane.

Molecular Properties

Compound Nameanthracene-9,10-dione;propane
PubChem CID162068050
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Nameanthracene-9,10-dione;propane
SMILESCCC.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C3H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-2/h1-8H;3H2,1-2H3
InChIKeyZASCFEHNNLJDEF-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(fluoren-9-one);methane;methanol;propane
CID 158940113
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
ethane;bis(fluoren-9-one);methanol
CID 162250310
anthracene-9,10-dione;methylsulfinylmethane
CID 158383413
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;propane?
The IUPAC name of anthracene-9,10-dione;propane (CID 162068050) is anthracene-9,10-dione;propane.
What is the SMILES notation for anthracene-9,10-dione;propane?
The canonical SMILES for anthracene-9,10-dione;propane is CCC.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;propane?
The InChIKey is ZASCFEHNNLJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C3H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-2/h1-8H;3H2,1-2H3.
What are the key properties of anthracene-9,10-dione;propane?
anthracene-9,10-dione;propane has a molecular weight of 252.31 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;propane is sourced from PubChem (CID 162068050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).