4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride

C26H16Cl2O4 — CID 101011694

IUPAC4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(Oc3ccc(C(=O)Cl)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H16Cl2O4/c27-25(29)18-6-10-20(11-7-18)31-22-14-15-24(23(16-22)17-4-2-1-3-5-17)32-21-12-8-19(9-13-21)26(28)30/h1-16H
InChIKeyBVWADRAAFWWYEZ-UHFFFAOYSA-N
MW463.32 g/mol
LogP7.70
Rot. Bonds7

About 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride

4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride (PubChem CID 101011694) has the molecular formula C26H16Cl2O4 and a molecular weight of 463.32 g/mol. Its IUPAC name is 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride.

Molecular Properties

Compound Name4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
PubChem CID101011694
Molecular FormulaC26H16Cl2O4
Molecular Weight463.32 g/mol
Exact Mass462.04
IUPAC Name4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(Oc3ccc(C(=O)Cl)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H16Cl2O4/c27-25(29)18-6-10-20(11-7-18)31-22-14-15-24(23(16-22)17-4-2-1-3-5-17)32-21-12-8-19(9-13-21)26(28)30/h1-16H
InChIKeyBVWADRAAFWWYEZ-UHFFFAOYSA-N
XLogP7.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966
bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
CID 23064662
4-[4-[9-[4-(4-carboxyphenoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]benzoic acid
CID 69231179
3-(4-carbonochloridoylphenyl)-4-phenylbenzoyl chloride
CID 87232900
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
[3-phenyl-4-(2,3,3-trichloroprop-2-enoyloxy)phenyl] 2,3,3-trichloroprop-2-enoate
CID 2774873
4-(4-carboxylato-3-phenylphenoxy)-2-phenylbenzoate
CID 21441388
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride?
The IUPAC name of 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride (CID 101011694) is 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride.
What is the SMILES notation for 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride?
The canonical SMILES for 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride is O=C(Cl)c1ccc(Oc2ccc(Oc3ccc(C(=O)Cl)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride?
The InChIKey is BVWADRAAFWWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2O4/c27-25(29)18-6-10-20(11-7-18)31-22-14-15-24(23(16-22)17-4-2-1-3-5-17)32-21-12-8-19(9-13-21)26(28)30/h1-16H.
What are the key properties of 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride?
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride has a molecular weight of 463.32 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride is sourced from PubChem (CID 101011694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).