1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene

C14H11Cl3 — CID 55249874

IUPAC1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
SMILESClc1ccc(Cl)c(C(Cl)Cc2ccccc2)c1
InChIInChI=1S/C14H11Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2
InChIKeyCMGCIDMRMDQGKA-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.52
Rot. Bonds3

About 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene

1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene (PubChem CID 55249874) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
PubChem CID55249874
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
SMILESClc1ccc(Cl)c(C(Cl)Cc2ccccc2)c1
InChIInChI=1S/C14H11Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2
InChIKeyCMGCIDMRMDQGKA-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.60
LogP ≤ 55.52
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-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-chloro-4-[1-chloro-2-(3-chlorophenyl)ethyl]-2,5-difluorobenzene
CID 82771839
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene?
The IUPAC name of 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene (CID 55249874) is 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene is Clc1ccc(Cl)c(C(Cl)Cc2ccccc2)c1.
What is the InChIKey of 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene?
The InChIKey is CMGCIDMRMDQGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c15-11-6-7-13(16)12(9-11)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2.
What are the key properties of 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene?
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene has a molecular weight of 285.60 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene is sourced from PubChem (CID 55249874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).