1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene

C14H11Cl3 — CID 529342

IUPAC1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11Cl3/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14H,9H2
InChIKeyPWGQPZBXAXUSFU-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.52
Rot. Bonds3

About 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene

1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene (PubChem CID 529342) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
PubChem CID529342
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
SMILESClc1ccc(CC(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11Cl3/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14H,9H2
InChIKeyPWGQPZBXAXUSFU-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-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
5-[1-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzodioxole
CID 55222555
3-[1-chloro-2-(4-chlorophenyl)ethyl]pyridine
CID 63016477
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
2-[1-chloro-2-(4-chlorophenyl)ethyl]pyrimidine
CID 114552930
2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]phenyl]-1,2,4-triazine-3,5-dione
CID 174427868
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-bromo-4-[2-chloro-2-(4-iodophenyl)ethyl]benzene
CID 63520066
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826
1-(1-chloro-2-phenylethyl)-4-phenylbenzene
CID 21425464
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
CID 107993476
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene (CID 529342) is 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene is Clc1ccc(CC(Cl)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene?
The InChIKey is PWGQPZBXAXUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14H,9H2.
What are the key properties of 1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene?
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]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-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 529342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).