4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride

C16H23ClO6 — CID 141339492

IUPAC4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
SMILESCOCCOCCOCCOCCOc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C16H23ClO6/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5H,6-13H2,1H3
InChIKeyVALLNTAMYINJBO-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.14
Rot. Bonds14

About 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride (PubChem CID 141339492) has the molecular formula C16H23ClO6 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride.

Molecular Properties

Compound Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
PubChem CID141339492
Molecular FormulaC16H23ClO6
Molecular Weight346.81 g/mol
Exact Mass346.12
IUPAC Name4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
SMILESCOCCOCCOCCOCCOc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C16H23ClO6/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5H,6-13H2,1H3
InChIKeyVALLNTAMYINJBO-UHFFFAOYSA-N
XLogP2.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
4-[[4-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]methoxy]benzoic acid
CID 102343472
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
1-(1-iodoethyl)-4-[2-(2-methoxyethoxy)ethoxy]benzene
CID 89292471
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride?
The IUPAC name of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride (CID 141339492) is 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride.
What is the SMILES notation for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride?
The canonical SMILES for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride is COCCOCCOCCOCCOc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride?
The InChIKey is VALLNTAMYINJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO6/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5H,6-13H2,1H3.
What are the key properties of 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride?
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride has a molecular weight of 346.81 g/mol, XLogP of 2.14, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride is sourced from PubChem (CID 141339492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).