1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene

C19H23ClO4 — CID 2284223

IUPAC1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCCOc1ccc(OCCOCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H23ClO4/c1-3-22-16-5-7-17(8-6-16)23-12-10-21-11-13-24-19-14-15(2)4-9-18(19)20/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGBLFUIQAPPFWIL-UHFFFAOYSA-N
MW350.84 g/mol
LogP4.52
Rot. Bonds10

About 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene

1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene (PubChem CID 2284223) has the molecular formula C19H23ClO4 and a molecular weight of 350.84 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
PubChem CID2284223
Molecular FormulaC19H23ClO4
Molecular Weight350.84 g/mol
Exact Mass350.13
IUPAC Name1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCCOc1ccc(OCCOCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H23ClO4/c1-3-22-16-5-7-17(8-6-16)23-12-10-21-11-13-24-19-14-15(2)4-9-18(19)20/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGBLFUIQAPPFWIL-UHFFFAOYSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
4-[2-(2-chloro-5-methylphenoxy)ethoxy]benzonitrile
CID 43213511
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
2-[4-[2-(2-chloro-5-methylphenoxy)ethoxy]phenyl]ethanamine
CID 43531012
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The IUPAC name of 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene (CID 2284223) is 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene is CCOc1ccc(OCCOCCOc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The InChIKey is GBLFUIQAPPFWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO4/c1-3-22-16-5-7-17(8-6-16)23-12-10-21-11-13-24-19-14-15(2)4-9-18(19)20/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene?
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene has a molecular weight of 350.84 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene is sourced from PubChem (CID 2284223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).