2,2-dichloro-1,3-dihydrophenalene

C13H10Cl2 — CID 174423090

IUPAC2,2-dichloro-1,3-dihydrophenalene
SMILESClC1(Cl)Cc2cccc3cccc(c23)C1
InChIInChI=1S/C13H10Cl2/c14-13(15)7-10-5-1-3-9-4-2-6-11(8-13)12(9)10/h1-6H,7-8H2
InChIKeyVXDFYCCPIQYOTG-UHFFFAOYSA-N
MW237.13 g/mol
LogP4.11
Rot. Bonds

About 2,2-dichloro-1,3-dihydrophenalene

2,2-dichloro-1,3-dihydrophenalene (PubChem CID 174423090) has the molecular formula C13H10Cl2 and a molecular weight of 237.13 g/mol. Its IUPAC name is 2,2-dichloro-1,3-dihydrophenalene.

Molecular Properties

Compound Name2,2-dichloro-1,3-dihydrophenalene
PubChem CID174423090
Molecular FormulaC13H10Cl2
Molecular Weight237.13 g/mol
Exact Mass236.02
IUPAC Name2,2-dichloro-1,3-dihydrophenalene
SMILESClC1(Cl)Cc2cccc3cccc(c23)C1
InChIInChI=1S/C13H10Cl2/c14-13(15)7-10-5-1-3-9-4-2-6-11(8-13)12(9)10/h1-6H,7-8H2
InChIKeyVXDFYCCPIQYOTG-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,3-dihydrophenalene?
The IUPAC name of 2,2-dichloro-1,3-dihydrophenalene (CID 174423090) is 2,2-dichloro-1,3-dihydrophenalene.
What is the SMILES notation for 2,2-dichloro-1,3-dihydrophenalene?
The canonical SMILES for 2,2-dichloro-1,3-dihydrophenalene is ClC1(Cl)Cc2cccc3cccc(c23)C1.
What is the InChIKey of 2,2-dichloro-1,3-dihydrophenalene?
The InChIKey is VXDFYCCPIQYOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2/c14-13(15)7-10-5-1-3-9-4-2-6-11(8-13)12(9)10/h1-6H,7-8H2.
What are the key properties of 2,2-dichloro-1,3-dihydrophenalene?
2,2-dichloro-1,3-dihydrophenalene has a molecular weight of 237.13 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,3-dihydrophenalene is sourced from PubChem (CID 174423090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).