1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene

C17H18Cl2O3 — CID 2284246

IUPAC1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
SMILESCOc1cc(C)ccc1OCCOc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O3/c1-11-4-5-15(16(8-11)20-3)21-6-7-22-17-12(2)9-13(18)10-14(17)19/h4-5,8-10H,6-7H2,1-3H3
InChIKeyQGZUIISLVQVFJB-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.08
Rot. Bonds6

About 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene

1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene (PubChem CID 2284246) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
PubChem CID2284246
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
SMILESCOc1cc(C)ccc1OCCOc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2O3/c1-11-4-5-15(16(8-11)20-3)21-6-7-22-17-12(2)9-13(18)10-14(17)19/h4-5,8-10H,6-7H2,1-3H3
InChIKeyQGZUIISLVQVFJB-UHFFFAOYSA-N
XLogP5.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.23
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
4-methoxy-3-[2-(2,4,6-trichlorophenoxy)ethoxy]benzaldehyde
CID 20985477
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The IUPAC name of 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene (CID 2284246) is 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene.
What is the SMILES notation for 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The canonical SMILES for 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene is COc1cc(C)ccc1OCCOc1c(C)cc(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The InChIKey is QGZUIISLVQVFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c1-11-4-5-15(16(8-11)20-3)21-6-7-22-17-12(2)9-13(18)10-14(17)19/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene has a molecular weight of 341.23 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene is sourced from PubChem (CID 2284246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).