1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone

C15H21ClO5 — CID 104563243

IUPAC1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
SMILESCOCCOCCOCCOc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C15H21ClO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11H,5-10H2,1-2H3
InChIKeyCNQNXHANTTWZKU-UHFFFAOYSA-N
MW316.78 g/mol
LogP2.60
Rot. Bonds11

About 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone

1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone (PubChem CID 104563243) has the molecular formula C15H21ClO5 and a molecular weight of 316.78 g/mol. Its IUPAC name is 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
PubChem CID104563243
Molecular FormulaC15H21ClO5
Molecular Weight316.78 g/mol
Exact Mass316.11
IUPAC Name1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
SMILESCOCCOCCOCCOc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C15H21ClO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11H,5-10H2,1-2H3
InChIKeyCNQNXHANTTWZKU-UHFFFAOYSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.78
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanone
CID 62073727
1-[5-chloro-2-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115646908
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177687
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
1-[5-chloro-2-(3-ethylsulfanylpropoxy)phenyl]ethanone
CID 115650917
1-[5-chloro-2-(2-hydroxy-2-methylpropoxy)phenyl]ethanone
CID 62072537
1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
CID 113427003
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
CID 69018130
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
5-chloro-2-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzoic acid
CID 106988297
5-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpentanenitrile
CID 65255690

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone (CID 104563243) is 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone is COCCOCCOCCOc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is CNQNXHANTTWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO5/c1-12(17)14-11-13(16)3-4-15(14)21-10-9-20-8-7-19-6-5-18-2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 316.78 g/mol, XLogP of 2.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 104563243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).