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

C15H12Cl4 — CID 79454700

IUPAC1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl4/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-14(18)15(19)8-10/h1-6,8,11H,7,9H2
InChIKeyYGOYIBZOXLWABR-UHFFFAOYSA-N
MW334.07 g/mol
LogP6.21
Rot. Bonds4

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

1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene (PubChem CID 79454700) has the molecular formula C15H12Cl4 and a molecular weight of 334.07 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
PubChem CID79454700
Molecular FormulaC15H12Cl4
Molecular Weight334.07 g/mol
Exact Mass331.97
IUPAC Name1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
SMILESClCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H12Cl4/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-14(18)15(19)8-10/h1-6,8,11H,7,9H2
InChIKeyYGOYIBZOXLWABR-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-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
3-(3,4-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79421828
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
2-bromo-5-[3-chloro-2-(2-chlorophenyl)propyl]thiophene
CID 79454547

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The IUPAC name of 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene (CID 79454700) is 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene is ClCC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
The InChIKey is YGOYIBZOXLWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4/c16-9-11(12-3-1-2-4-13(12)17)7-10-5-6-14(18)15(19)8-10/h1-6,8,11H,7,9H2.
What are the key properties of 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene?
1,2-dichloro-4-[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 1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene is sourced from PubChem (CID 79454700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).