2-(2-ethoxyphenyl)phenanthrene-9,10-dione

C22H16O3 — CID 10592371

IUPAC2-(2-ethoxyphenyl)phenanthrene-9,10-dione
SMILESCCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C22H16O3/c1-2-25-20-10-6-5-7-15(20)14-11-12-17-16-8-3-4-9-18(16)21(23)22(24)19(17)13-14/h3-13H,2H2,1H3
InChIKeyDESZZYBCSWNYKL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.80
Rot. Bonds3

About 2-(2-ethoxyphenyl)phenanthrene-9,10-dione

2-(2-ethoxyphenyl)phenanthrene-9,10-dione (PubChem CID 10592371) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)phenanthrene-9,10-dione.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)phenanthrene-9,10-dione
PubChem CID10592371
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name2-(2-ethoxyphenyl)phenanthrene-9,10-dione
SMILESCCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C22H16O3/c1-2-25-20-10-6-5-7-15(20)14-11-12-17-16-8-3-4-9-18(16)21(23)22(24)19(17)13-14/h3-13H,2H2,1H3
InChIKeyDESZZYBCSWNYKL-UHFFFAOYSA-N
XLogP4.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Adapalene
CID 60164
Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
2-(4-Ethoxybenzylidene)-1-tetralone
CID 5702490
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
6-Methoxy-2-naphthaldehyde
CID 76991
1-Methoxy-9,10-anthracenedione
CID 6707
2-(4-Methoxybenzylidene)-1-tetralone
CID 695537
(3E)-2,3-Dihydro-3-((4-methylphenyl)methylene)-4H-1-benzopyran-4-one
CID 914811
Benzo(b)naphtho(2,3-d)furan
CID 71072

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)phenanthrene-9,10-dione?
The IUPAC name of 2-(2-ethoxyphenyl)phenanthrene-9,10-dione (CID 10592371) is 2-(2-ethoxyphenyl)phenanthrene-9,10-dione.
What is the SMILES notation for 2-(2-ethoxyphenyl)phenanthrene-9,10-dione?
The canonical SMILES for 2-(2-ethoxyphenyl)phenanthrene-9,10-dione is CCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 2-(2-ethoxyphenyl)phenanthrene-9,10-dione?
The InChIKey is DESZZYBCSWNYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-2-25-20-10-6-5-7-15(20)14-11-12-17-16-8-3-4-9-18(16)21(23)22(24)19(17)13-14/h3-13H,2H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)phenanthrene-9,10-dione?
2-(2-ethoxyphenyl)phenanthrene-9,10-dione has a molecular weight of 328.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)phenanthrene-9,10-dione is sourced from PubChem (CID 10592371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).