1,2-dichloroethane;1,4-diphenylbenzene

C20H18Cl2 — CID 174576673

IUPAC1,2-dichloroethane;1,4-diphenylbenzene
SMILESClCCCl.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
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
MW329.27 g/mol
LogP6.48
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 329.27 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 Weight329.27 g/mol
Exact Mass328.08
IUPAC Name1,2-dichloroethane;1,4-diphenylbenzene
SMILESClCCCl.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
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
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.27
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(chloromethyl)-4-phenylbenzene
CID 15463
beryllium;1,1'-biphenyl;hydride
CID 173156439
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;3H-diazaphosphirene
CID 146196746
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
CID 158742993
bis(1,1'-biphenyl);sulfane
CID 22247507
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988

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 ClCCCl.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
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 329.27 g/mol, XLogP of 6.48, 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).