3-chlorophenanthrene-9,10-dione

C14H7ClO2 — CID 67151037

IUPAC3-chlorophenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Cl)cc2-c2ccccc21
InChIInChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H
InChIKeyLCTGTYWQCIPXLD-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.39
Rot. Bonds

About 3-chlorophenanthrene-9,10-dione

3-chlorophenanthrene-9,10-dione (PubChem CID 67151037) has the molecular formula C14H7ClO2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-chlorophenanthrene-9,10-dione.

Molecular Properties

Compound Name3-chlorophenanthrene-9,10-dione
PubChem CID67151037
Molecular FormulaC14H7ClO2
Molecular Weight242.66 g/mol
Exact Mass242.01
IUPAC Name3-chlorophenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Cl)cc2-c2ccccc21
InChIInChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H
InChIKeyLCTGTYWQCIPXLD-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chlorophenanthrene-9,10-dione?
The IUPAC name of 3-chlorophenanthrene-9,10-dione (CID 67151037) is 3-chlorophenanthrene-9,10-dione.
What is the SMILES notation for 3-chlorophenanthrene-9,10-dione?
The canonical SMILES for 3-chlorophenanthrene-9,10-dione is O=C1C(=O)c2ccc(Cl)cc2-c2ccccc21.
What is the InChIKey of 3-chlorophenanthrene-9,10-dione?
The InChIKey is LCTGTYWQCIPXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)9-3-1-2-4-10(9)13(16)14(11)17/h1-7H.
What are the key properties of 3-chlorophenanthrene-9,10-dione?
3-chlorophenanthrene-9,10-dione has a molecular weight of 242.66 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorophenanthrene-9,10-dione is sourced from PubChem (CID 67151037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).