4-(4-carbonochloridoylphenoxy)benzoyl chloride

C14H8Cl2O3 — CID 23546

IUPAC4-(4-carbonochloridoylphenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H
InChIKeyOSUWBBMPVXVSOA-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.24
Rot. Bonds4

About 4-(4-carbonochloridoylphenoxy)benzoyl chloride

4-(4-carbonochloridoylphenoxy)benzoyl chloride (PubChem CID 23546) has the molecular formula C14H8Cl2O3 and a molecular weight of 295.12 g/mol. Its IUPAC name is 4-(4-carbonochloridoylphenoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(4-carbonochloridoylphenoxy)benzoyl chloride
PubChem CID23546
Molecular FormulaC14H8Cl2O3
Molecular Weight295.12 g/mol
Exact Mass293.99
IUPAC Name4-(4-carbonochloridoylphenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H
InChIKeyOSUWBBMPVXVSOA-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbonochloridoylphenoxy)benzoyl chloride?
The IUPAC name of 4-(4-carbonochloridoylphenoxy)benzoyl chloride (CID 23546) is 4-(4-carbonochloridoylphenoxy)benzoyl chloride.
What is the SMILES notation for 4-(4-carbonochloridoylphenoxy)benzoyl chloride?
The canonical SMILES for 4-(4-carbonochloridoylphenoxy)benzoyl chloride is O=C(Cl)c1ccc(Oc2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 4-(4-carbonochloridoylphenoxy)benzoyl chloride?
The InChIKey is OSUWBBMPVXVSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H.
What are the key properties of 4-(4-carbonochloridoylphenoxy)benzoyl chloride?
4-(4-carbonochloridoylphenoxy)benzoyl chloride has a molecular weight of 295.12 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbonochloridoylphenoxy)benzoyl chloride is sourced from PubChem (CID 23546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).