4-(4-phenoxyphenoxy)benzoyl fluoride

C19H13FO3 — CID 19017949

IUPAC4-(4-phenoxyphenoxy)benzoyl fluoride
SMILESO=C(F)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H13FO3/c20-19(21)14-6-8-16(9-7-14)23-18-12-10-17(11-13-18)22-15-4-2-1-3-5-15/h1-13H
InChIKeyXTSNHPKFLFULFR-UHFFFAOYSA-N
MW308.31 g/mol
LogP5.38
Rot. Bonds5

About 4-(4-phenoxyphenoxy)benzoyl fluoride

4-(4-phenoxyphenoxy)benzoyl fluoride (PubChem CID 19017949) has the molecular formula C19H13FO3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-(4-phenoxyphenoxy)benzoyl fluoride.

Molecular Properties

Compound Name4-(4-phenoxyphenoxy)benzoyl fluoride
PubChem CID19017949
Molecular FormulaC19H13FO3
Molecular Weight308.31 g/mol
Exact Mass308.08
IUPAC Name4-(4-phenoxyphenoxy)benzoyl fluoride
SMILESO=C(F)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H13FO3/c20-19(21)14-6-8-16(9-7-14)23-18-12-10-17(11-13-18)22-15-4-2-1-3-5-15/h1-13H
InChIKeyXTSNHPKFLFULFR-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxybenzoic acid;hydrochloride
CID 70385625
1-(1-fluoroethenyl)-4-phenoxybenzene
CID 170308040
4-phenoxybenzoyl bromide
CID 116924551
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenoxy)benzoyl fluoride?
The IUPAC name of 4-(4-phenoxyphenoxy)benzoyl fluoride (CID 19017949) is 4-(4-phenoxyphenoxy)benzoyl fluoride.
What is the SMILES notation for 4-(4-phenoxyphenoxy)benzoyl fluoride?
The canonical SMILES for 4-(4-phenoxyphenoxy)benzoyl fluoride is O=C(F)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-phenoxyphenoxy)benzoyl fluoride?
The InChIKey is XTSNHPKFLFULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO3/c20-19(21)14-6-8-16(9-7-14)23-18-12-10-17(11-13-18)22-15-4-2-1-3-5-15/h1-13H.
What are the key properties of 4-(4-phenoxyphenoxy)benzoyl fluoride?
4-(4-phenoxyphenoxy)benzoyl fluoride has a molecular weight of 308.31 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenoxy)benzoyl fluoride is sourced from PubChem (CID 19017949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).