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

C21H14O3 — CID 10757624

IUPAC2-(2-methoxyphenyl)phenanthrene-9,10-dione
SMILESCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14O3/c1-24-19-9-5-4-6-14(19)13-10-11-16-15-7-2-3-8-17(15)20(22)21(23)18(16)12-13/h2-12H,1H3
InChIKeyGWCIDKPVRZSXHK-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.41
Rot. Bonds2

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

2-(2-methoxyphenyl)phenanthrene-9,10-dione (PubChem CID 10757624) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)phenanthrene-9,10-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)phenanthrene-9,10-dione
PubChem CID10757624
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name2-(2-methoxyphenyl)phenanthrene-9,10-dione
SMILESCOc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14O3/c1-24-19-9-5-4-6-14(19)13-10-11-16-15-7-2-3-8-17(15)20(22)21(23)18(16)12-13/h2-12H,1H3
InChIKeyGWCIDKPVRZSXHK-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)phenanthrene-9,10-dione?
The IUPAC name of 2-(2-methoxyphenyl)phenanthrene-9,10-dione (CID 10757624) is 2-(2-methoxyphenyl)phenanthrene-9,10-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)phenanthrene-9,10-dione?
The canonical SMILES for 2-(2-methoxyphenyl)phenanthrene-9,10-dione is COc1ccccc1-c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 2-(2-methoxyphenyl)phenanthrene-9,10-dione?
The InChIKey is GWCIDKPVRZSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c1-24-19-9-5-4-6-14(19)13-10-11-16-15-7-2-3-8-17(15)20(22)21(23)18(16)12-13/h2-12H,1H3.
What are the key properties of 2-(2-methoxyphenyl)phenanthrene-9,10-dione?
2-(2-methoxyphenyl)phenanthrene-9,10-dione has a molecular weight of 314.34 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)phenanthrene-9,10-dione is sourced from PubChem (CID 10757624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).