3-chlorophenanthrene

C14H9Cl — CID 3013936

IUPAC3-chlorophenanthrene
SMILESClc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9Cl/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKeyBVFJTESUEYBUOL-UHFFFAOYSA-N
MW212.68 g/mol
LogP4.65
Rot. Bonds

About 3-chlorophenanthrene

3-chlorophenanthrene (PubChem CID 3013936) has the molecular formula C14H9Cl and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chlorophenanthrene.

Molecular Properties

Compound Name3-chlorophenanthrene
PubChem CID3013936
Molecular FormulaC14H9Cl
Molecular Weight212.68 g/mol
Exact Mass212.04
IUPAC Name3-chlorophenanthrene
SMILESClc1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C14H9Cl/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKeyBVFJTESUEYBUOL-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 3-chlorophenanthrene?
The IUPAC name of 3-chlorophenanthrene (CID 3013936) is 3-chlorophenanthrene.
What is the SMILES notation for 3-chlorophenanthrene?
The canonical SMILES for 3-chlorophenanthrene is Clc1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-chlorophenanthrene?
The InChIKey is BVFJTESUEYBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H.
What are the key properties of 3-chlorophenanthrene?
3-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 3-chlorophenanthrene is sourced from PubChem (CID 3013936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).