5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene

C18H20Cl2O2 — CID 123242846

IUPAC5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1OCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C18H20Cl2O2/c1-11-7-15(19)8-12(2)17(11)21-5-6-22-18-13(3)9-16(20)10-14(18)4/h7-10H,5-6H2,1-4H3
InChIKeyLBKUEJBNNVIRAB-UHFFFAOYSA-N
MW339.26 g/mol
LogP5.68
Rot. Bonds5

About 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene

5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene (PubChem CID 123242846) has the molecular formula C18H20Cl2O2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
PubChem CID123242846
Molecular FormulaC18H20Cl2O2
Molecular Weight339.26 g/mol
Exact Mass338.08
IUPAC Name5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
SMILESCc1cc(Cl)cc(C)c1OCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C18H20Cl2O2/c1-11-7-15(19)8-12(2)17(11)21-5-6-22-18-13(3)9-16(20)10-14(18)4/h7-10H,5-6H2,1-4H3
InChIKeyLBKUEJBNNVIRAB-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2245338
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
CID 2249602
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63507030
diethyl 2-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]propanedioate
CID 2266460
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
diethyl 2-[2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]ethyl]propanedioate
CID 5347945
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene?
The IUPAC name of 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene (CID 123242846) is 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene?
The canonical SMILES for 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene is Cc1cc(Cl)cc(C)c1OCCOc1c(C)cc(Cl)cc1C.
What is the InChIKey of 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene?
The InChIKey is LBKUEJBNNVIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O2/c1-11-7-15(19)8-12(2)17(11)21-5-6-22-18-13(3)9-16(20)10-14(18)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene?
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene has a molecular weight of 339.26 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 123242846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).