9-hydroxyphenanthrene-1,2-dione

C14H8O3 — CID 156698876

IUPAC9-hydroxyphenanthrene-1,2-dione
SMILESO=C1C=Cc2c(cc(O)c3ccccc23)C1=O
InChIInChI=1S/C14H8O3/c15-12-6-5-9-8-3-1-2-4-10(8)13(16)7-11(9)14(12)17/h1-7,16H
InChIKeyXUEMNVLOMVDPIP-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.32
Rot. Bonds

About 9-hydroxyphenanthrene-1,2-dione

9-hydroxyphenanthrene-1,2-dione (PubChem CID 156698876) has the molecular formula C14H8O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 9-hydroxyphenanthrene-1,2-dione.

Molecular Properties

Compound Name9-hydroxyphenanthrene-1,2-dione
PubChem CID156698876
Molecular FormulaC14H8O3
Molecular Weight224.22 g/mol
Exact Mass224.05
IUPAC Name9-hydroxyphenanthrene-1,2-dione
SMILESO=C1C=Cc2c(cc(O)c3ccccc23)C1=O
InChIInChI=1S/C14H8O3/c15-12-6-5-9-8-3-1-2-4-10(8)13(16)7-11(9)14(12)17/h1-7,16H
InChIKeyXUEMNVLOMVDPIP-UHFFFAOYSA-N
XLogP2.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
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 9-hydroxyphenanthrene-1,2-dione?
The IUPAC name of 9-hydroxyphenanthrene-1,2-dione (CID 156698876) is 9-hydroxyphenanthrene-1,2-dione.
What is the SMILES notation for 9-hydroxyphenanthrene-1,2-dione?
The canonical SMILES for 9-hydroxyphenanthrene-1,2-dione is O=C1C=Cc2c(cc(O)c3ccccc23)C1=O.
What is the InChIKey of 9-hydroxyphenanthrene-1,2-dione?
The InChIKey is XUEMNVLOMVDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c15-12-6-5-9-8-3-1-2-4-10(8)13(16)7-11(9)14(12)17/h1-7,16H.
What are the key properties of 9-hydroxyphenanthrene-1,2-dione?
9-hydroxyphenanthrene-1,2-dione has a molecular weight of 224.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxyphenanthrene-1,2-dione is sourced from PubChem (CID 156698876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).