1,2-Dichloroethane;1,4-diphenylbenzene

C20H18Cl2 — CID 174576673

IUPAC1,2-dichloroethane;1,4-diphenylbenzene
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3.C(CCl)Cl
InChIInChI=1S/C18H14.C2H4Cl2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3-1-2-4/h1-14H;1-2H2
InChIKeyQHPVVPODLLHQCW-UHFFFAOYSA-N
MW329.30 g/mol
LogP—
Rot. Bonds3

About 1,2-Dichloroethane;1,4-diphenylbenzene

1,2-Dichloroethane;1,4-diphenylbenzene (PubChem CID 174576673) has the molecular formula C20H18Cl2 and a molecular weight of 329.30 g/mol. Its IUPAC name is 1,2-dichloroethane;1,4-diphenylbenzene.

Molecular Properties

Compound Name1,2-Dichloroethane;1,4-diphenylbenzene
PubChem CID174576673
Molecular FormulaC20H18Cl2
Molecular Weight329.30 g/mol
Exact Mass328.08
IUPAC Name1,2-dichloroethane;1,4-diphenylbenzene
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3.C(CCl)Cl
InChIInChI=1S/C18H14.C2H4Cl2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3-1-2-4/h1-14H;1-2H2
InChIKeyQHPVVPODLLHQCW-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity204

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
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 1,2-Dichloroethane;1,4-diphenylbenzene?
The IUPAC name of 1,2-Dichloroethane;1,4-diphenylbenzene (CID 174576673) is 1,2-dichloroethane;1,4-diphenylbenzene.
What is the SMILES notation for 1,2-Dichloroethane;1,4-diphenylbenzene?
The canonical SMILES for 1,2-Dichloroethane;1,4-diphenylbenzene is C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3.C(CCl)Cl.
What is the InChIKey of 1,2-Dichloroethane;1,4-diphenylbenzene?
The InChIKey is QHPVVPODLLHQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C2H4Cl2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;3-1-2-4/h1-14H;1-2H2.
What are the key properties of 1,2-Dichloroethane;1,4-diphenylbenzene?
1,2-Dichloroethane;1,4-diphenylbenzene has a molecular weight of 329.30 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Dichloroethane;1,4-diphenylbenzene is sourced from PubChem (CID 174576673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).