1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene

C15H12Cl4 — CID 79455159

IUPAC1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(Cc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl4/c16-9-11(13-3-1-2-4-15(13)19)7-10-8-12(17)5-6-14(10)18/h1-6,8,11H,7,9H2
InChIKeyIHIFWFQOTJZWHU-UHFFFAOYSA-N
MW334.07 g/mol
LogP6.21
Rot. Bonds4

About 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene

1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene (PubChem CID 79455159) has the molecular formula C15H12Cl4 and a molecular weight of 334.07 g/mol. Its IUPAC name is 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
PubChem CID79455159
Molecular FormulaC15H12Cl4
Molecular Weight334.07 g/mol
Exact Mass331.97
IUPAC Name1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(Cc1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl4/c16-9-11(13-3-1-2-4-15(13)19)7-10-8-12(17)5-6-14(10)18/h1-6,8,11H,7,9H2
InChIKeyIHIFWFQOTJZWHU-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.07
LogP ≤ 56.21
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

2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
1-chloro-2-[3-chloro-2-(2-methylphenyl)propyl]benzene
CID 79419089
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
3-(2,5-dichlorophenyl)-2-phenylpropan-1-ol
CID 66059419
2-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
4-chloro-2-[3-chloro-2-(2-fluorophenyl)propyl]-1-methoxybenzene
CID 79454294
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The IUPAC name of 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene (CID 79455159) is 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene is ClCC(Cc1cc(Cl)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The InChIKey is IHIFWFQOTJZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4/c16-9-11(13-3-1-2-4-15(13)19)7-10-8-12(17)5-6-14(10)18/h1-6,8,11H,7,9H2.
What are the key properties of 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene has a molecular weight of 334.07 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene is sourced from PubChem (CID 79455159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).