2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene

C20H24Cl2O — CID 142781475

IUPAC2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
SMILESCc1cc(CCOCCc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl
InChIInChI=1S/C20H24Cl2O/c1-13-9-17(10-14(2)19(13)21)5-7-23-8-6-18-11-15(3)20(22)16(4)12-18/h9-12H,5-8H2,1-4H3
InChIKeyZSMPEZPMJJMXPD-UHFFFAOYSA-N
MW351.32 g/mol
LogP6.03
Rot. Bonds6

About 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene

2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene (PubChem CID 142781475) has the molecular formula C20H24Cl2O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
PubChem CID142781475
Molecular FormulaC20H24Cl2O
Molecular Weight351.32 g/mol
Exact Mass350.12
IUPAC Name2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
SMILESCc1cc(CCOCCc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl
InChIInChI=1S/C20H24Cl2O/c1-13-9-17(10-14(2)19(13)21)5-7-23-8-6-18-11-15(3)20(22)16(4)12-18/h9-12H,5-8H2,1-4H3
InChIKeyZSMPEZPMJJMXPD-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene (CID 142781475) is 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene is Cc1cc(CCOCCc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
The InChIKey is ZSMPEZPMJJMXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2O/c1-13-9-17(10-14(2)19(13)21)5-7-23-8-6-18-11-15(3)20(22)16(4)12-18/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene?
2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene has a molecular weight of 351.32 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-(4-chloro-3,5-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene is sourced from PubChem (CID 142781475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).