5,6,7,8-tetrahydrophenanthrene-3,4-dione

C14H12O2 — CID 14828209

IUPAC5,6,7,8-tetrahydrophenanthrene-3,4-dione
SMILESO=C1C=Cc2ccc3c(c2C1=O)CCCC3
InChIInChI=1S/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h5-8H,1-4H2
InChIKeyGEPDWFWEEIMFMO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.34
Rot. Bonds

About 5,6,7,8-tetrahydrophenanthrene-3,4-dione

5,6,7,8-tetrahydrophenanthrene-3,4-dione (PubChem CID 14828209) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrophenanthrene-3,4-dione.

Molecular Properties

Compound Name5,6,7,8-tetrahydrophenanthrene-3,4-dione
PubChem CID14828209
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name5,6,7,8-tetrahydrophenanthrene-3,4-dione
SMILESO=C1C=Cc2ccc3c(c2C1=O)CCCC3
InChIInChI=1S/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h5-8H,1-4H2
InChIKeyGEPDWFWEEIMFMO-UHFFFAOYSA-N
XLogP2.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 5,6,7,8-tetrahydrophenanthrene-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The IUPAC name of 5,6,7,8-tetrahydrophenanthrene-3,4-dione (CID 14828209) is 5,6,7,8-tetrahydrophenanthrene-3,4-dione.
What is the SMILES notation for 5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The canonical SMILES for 5,6,7,8-tetrahydrophenanthrene-3,4-dione is O=C1C=Cc2ccc3c(c2C1=O)CCCC3.
What is the InChIKey of 5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The InChIKey is GEPDWFWEEIMFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h5-8H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydrophenanthrene-3,4-dione?
5,6,7,8-tetrahydrophenanthrene-3,4-dione has a molecular weight of 212.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrophenanthrene-3,4-dione is sourced from PubChem (CID 14828209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).