1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene

C18H20Cl2 — CID 6295

IUPAC1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene
SMILESCCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
InChIKeyQFMDFTQOJHFVNR-UHFFFAOYSA-N
MW307.26 g/mol
LogP5.75
Rot. Bonds5

About 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene

1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene (PubChem CID 6295) has the molecular formula C18H20Cl2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene
PubChem CID6295
Molecular FormulaC18H20Cl2
Molecular Weight307.26 g/mol
Exact Mass306.09
IUPAC Name1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene
SMILESCCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1
InChIInChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
InChIKeyQFMDFTQOJHFVNR-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 55.75
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

P,P'-ddd
CID 6294
1,1,1-Trichloro-2,2-diphenylethane
CID 18085
Chlorodiphenylmethane
CID 7035
4,4'-Bis(chloromethyl)-1,1'-biphenyl
CID 74275
4-Phenylbenzyl chloride
CID 15463
4-Isopropylbiphenyl
CID 23503
1,1,1-Trichloro-2,2-bis(4-methylphenyl)ethane
CID 20452
Dichlorodiphenylmethane
CID 16327
4-Ethylbenzyl chloride
CID 73843
4-Isopropylbenzyl chloride
CID 74916
Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-
CID 88198
Benzene, 1-ethyl-4-(4-propylcyclohexyl)-, trans-
CID 174293

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene?
The IUPAC name of 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene (CID 6295) is 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene.
What is the SMILES notation for 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene?
The canonical SMILES for 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene is CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1.
What is the InChIKey of 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene?
The InChIKey is QFMDFTQOJHFVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene?
1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene has a molecular weight of 307.26 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene is sourced from PubChem (CID 6295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).