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

C16H16Cl2 — CID 55197752

IUPAC1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
SMILESCCc1ccc(C(Cl)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16Cl2/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(17)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyYPIRUIFCQSWAKO-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.43
Rot. Bonds4

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

1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene (PubChem CID 55197752) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
PubChem CID55197752
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
SMILESCCc1ccc(C(Cl)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16Cl2/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(17)10-6-13/h3-10,16H,2,11H2,1H3
InChIKeyYPIRUIFCQSWAKO-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.43
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-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
2-(4-chlorophenyl)-2-(4-ethylphenyl)-N-methylethanamine;ethane
CID 143339031
chloro-(4-ethylphenyl)methanamine
CID 116947710
5-[1-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzodioxole
CID 55222555
1-(1-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene (CID 55197752) is 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene is CCc1ccc(C(Cl)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene?
The InChIKey is YPIRUIFCQSWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-2-12-3-7-14(8-4-12)16(18)11-13-5-9-15(17)10-6-13/h3-10,16H,2,11H2,1H3.
What are the key properties of 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene?
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene has a molecular weight of 279.21 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene is sourced from PubChem (CID 55197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).