2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride

C18H16Cl2O5 — CID 10981850

IUPAC2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
SMILESO=C(Cl)c1ccccc1OCCOCCOc1ccccc1C(=O)Cl
InChIInChI=1S/C18H16Cl2O5/c19-17(21)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(20)22/h1-8H,9-12H2
InChIKeyCFNABIJCKBOFIF-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.92
Rot. Bonds10

About 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride

2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride (PubChem CID 10981850) has the molecular formula C18H16Cl2O5 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride.

Molecular Properties

Compound Name2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
PubChem CID10981850
Molecular FormulaC18H16Cl2O5
Molecular Weight383.23 g/mol
Exact Mass382.04
IUPAC Name2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
SMILESO=C(Cl)c1ccccc1OCCOCCOc1ccccc1C(=O)Cl
InChIInChI=1S/C18H16Cl2O5/c19-17(21)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(20)22/h1-8H,9-12H2
InChIKeyCFNABIJCKBOFIF-UHFFFAOYSA-N
XLogP3.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-phenylmethoxybenzoyl chloride
CID 10999355
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride?
The IUPAC name of 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride (CID 10981850) is 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride.
What is the SMILES notation for 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride?
The canonical SMILES for 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride is O=C(Cl)c1ccccc1OCCOCCOc1ccccc1C(=O)Cl.
What is the InChIKey of 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride?
The InChIKey is CFNABIJCKBOFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O5/c19-17(21)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(20)22/h1-8H,9-12H2.
What are the key properties of 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride?
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride has a molecular weight of 383.23 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride is sourced from PubChem (CID 10981850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).