2,6-dichlorophenanthrene

C14H8Cl2 — CID 123290984

IUPAC2,6-dichlorophenanthrene
SMILESClc1ccc2c(ccc3ccc(Cl)cc32)c1
InChIInChI=1S/C14H8Cl2/c15-11-5-6-13-10(7-11)2-1-9-3-4-12(16)8-14(9)13/h1-8H
InChIKeyRGAJKWOJVSKKBL-UHFFFAOYSA-N
MW247.12 g/mol
LogP5.30
Rot. Bonds

About 2,6-dichlorophenanthrene

2,6-dichlorophenanthrene (PubChem CID 123290984) has the molecular formula C14H8Cl2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2,6-dichlorophenanthrene.

Molecular Properties

Compound Name2,6-dichlorophenanthrene
PubChem CID123290984
Molecular FormulaC14H8Cl2
Molecular Weight247.12 g/mol
Exact Mass246.00
IUPAC Name2,6-dichlorophenanthrene
SMILESClc1ccc2c(ccc3ccc(Cl)cc32)c1
InChIInChI=1S/C14H8Cl2/c15-11-5-6-13-10(7-11)2-1-9-3-4-12(16)8-14(9)13/h1-8H
InChIKeyRGAJKWOJVSKKBL-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.12
LogP ≤ 55.30
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 2,6-dichlorophenanthrene?
The IUPAC name of 2,6-dichlorophenanthrene (CID 123290984) is 2,6-dichlorophenanthrene.
What is the SMILES notation for 2,6-dichlorophenanthrene?
The canonical SMILES for 2,6-dichlorophenanthrene is Clc1ccc2c(ccc3ccc(Cl)cc32)c1.
What is the InChIKey of 2,6-dichlorophenanthrene?
The InChIKey is RGAJKWOJVSKKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2/c15-11-5-6-13-10(7-11)2-1-9-3-4-12(16)8-14(9)13/h1-8H.
What are the key properties of 2,6-dichlorophenanthrene?
2,6-dichlorophenanthrene has a molecular weight of 247.12 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorophenanthrene is sourced from PubChem (CID 123290984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).