3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride

C16H12Cl2O4 — CID 101056667

IUPAC3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
SMILESO=C(Cl)c1cccc(OCCOc2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C16H12Cl2O4/c17-15(19)11-3-1-5-13(9-11)21-7-8-22-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2
InChIKeyWCQPUKVEUOOPAQ-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.90
Rot. Bonds7

About 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride

3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride (PubChem CID 101056667) has the molecular formula C16H12Cl2O4 and a molecular weight of 339.17 g/mol. Its IUPAC name is 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride.

Molecular Properties

Compound Name3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
PubChem CID101056667
Molecular FormulaC16H12Cl2O4
Molecular Weight339.17 g/mol
Exact Mass338.01
IUPAC Name3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
SMILESO=C(Cl)c1cccc(OCCOc2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C16H12Cl2O4/c17-15(19)11-3-1-5-13(9-11)21-7-8-22-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2
InChIKeyWCQPUKVEUOOPAQ-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(bromomethoxy)benzoyl chloride
CID 174361316
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-(cyclohexa-1,5-dien-1-ylmethoxy)benzoyl chloride
CID 142144146
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
3-propoxybenzamide
CID 22311435

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride?
The IUPAC name of 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride (CID 101056667) is 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride.
What is the SMILES notation for 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride?
The canonical SMILES for 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride is O=C(Cl)c1cccc(OCCOc2cccc(C(=O)Cl)c2)c1.
What is the InChIKey of 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride?
The InChIKey is WCQPUKVEUOOPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O4/c17-15(19)11-3-1-5-13(9-11)21-7-8-22-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2.
What are the key properties of 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride?
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride has a molecular weight of 339.17 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride is sourced from PubChem (CID 101056667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).