4-(4-phenylphenoxy)benzoyl chloride

C19H13ClO2 — CID 23319474

IUPAC4-(4-phenylphenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H13ClO2/c20-19(21)16-8-12-18(13-9-16)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H
InChIKeyBICYPRAUNKSOIX-UHFFFAOYSA-N
MW308.76 g/mol
LogP5.52
Rot. Bonds4

About 4-(4-phenylphenoxy)benzoyl chloride

4-(4-phenylphenoxy)benzoyl chloride (PubChem CID 23319474) has the molecular formula C19H13ClO2 and a molecular weight of 308.76 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(4-phenylphenoxy)benzoyl chloride
PubChem CID23319474
Molecular FormulaC19H13ClO2
Molecular Weight308.76 g/mol
Exact Mass308.06
IUPAC Name4-(4-phenylphenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H13ClO2/c20-19(21)16-8-12-18(13-9-16)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H
InChIKeyBICYPRAUNKSOIX-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
benzoyl chloride;selane
CID 174449470
4-phenoxybenzoic acid;hydrochloride
CID 70385625

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)benzoyl chloride?
The IUPAC name of 4-(4-phenylphenoxy)benzoyl chloride (CID 23319474) is 4-(4-phenylphenoxy)benzoyl chloride.
What is the SMILES notation for 4-(4-phenylphenoxy)benzoyl chloride?
The canonical SMILES for 4-(4-phenylphenoxy)benzoyl chloride is O=C(Cl)c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenoxy)benzoyl chloride?
The InChIKey is BICYPRAUNKSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO2/c20-19(21)16-8-12-18(13-9-16)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 4-(4-phenylphenoxy)benzoyl chloride?
4-(4-phenylphenoxy)benzoyl chloride has a molecular weight of 308.76 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)benzoyl chloride is sourced from PubChem (CID 23319474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).