9-chlorophenanthrene

C14H9Cl — CID 13694

IUPAC9-chlorophenanthrene
SMILESClc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyCJWHZQNUDAJJSB-UHFFFAOYSA-N
MW212.68 g/mol
LogP4.65
Rot. Bonds

About 9-chlorophenanthrene

9-chlorophenanthrene (PubChem CID 13694) has the molecular formula C14H9Cl and a molecular weight of 212.68 g/mol. Its IUPAC name is 9-chlorophenanthrene.

Molecular Properties

Compound Name9-chlorophenanthrene
PubChem CID13694
Molecular FormulaC14H9Cl
Molecular Weight212.68 g/mol
Exact Mass212.04
IUPAC Name9-chlorophenanthrene
SMILESClc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKeyCJWHZQNUDAJJSB-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chlorophenanthrene?
The IUPAC name of 9-chlorophenanthrene (CID 13694) is 9-chlorophenanthrene.
What is the SMILES notation for 9-chlorophenanthrene?
The canonical SMILES for 9-chlorophenanthrene is Clc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-chlorophenanthrene?
The InChIKey is CJWHZQNUDAJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H.
What are the key properties of 9-chlorophenanthrene?
9-chlorophenanthrene has a molecular weight of 212.68 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorophenanthrene is sourced from PubChem (CID 13694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).