2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene

C17H19ClO3 — CID 2284147

IUPAC2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
SMILESCOc1ccccc1OCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C17H19ClO3/c1-12-10-14(11-13(2)17(12)18)20-8-9-21-16-7-5-4-6-15(16)19-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZGZGJMTXJSNRIW-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.42
Rot. Bonds6

About 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene

2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene (PubChem CID 2284147) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
PubChem CID2284147
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
SMILESCOc1ccccc1OCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C17H19ClO3/c1-12-10-14(11-13(2)17(12)18)20-8-9-21-16-7-5-4-6-15(16)19-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyZGZGJMTXJSNRIW-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.42
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-3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methanamine
CID 20984235
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
3-[2-(2-methoxyphenoxy)ethoxy]phenol
CID 39360613
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20992748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene (CID 2284147) is 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene is COc1ccccc1OCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene?
The InChIKey is ZGZGJMTXJSNRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-12-10-14(11-13(2)17(12)18)20-8-9-21-16-7-5-4-6-15(16)19-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene?
2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene has a molecular weight of 306.79 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 2284147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).