(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate

C26H16Cl2O3 — CID 54281074

IUPAC(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
SMILESO=C(OC(=O)c1ccc(-c2ccccc2)cc1Cl)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C26H16Cl2O3/c27-23-15-19(17-7-3-1-4-8-17)11-13-21(23)25(29)31-26(30)22-14-12-20(16-24(22)28)18-9-5-2-6-10-18/h1-16H
InChIKeyRQVALBHJRGHAQQ-UHFFFAOYSA-N
MW447.32 g/mol
LogP7.32
Rot. Bonds4

About (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate

(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate (PubChem CID 54281074) has the molecular formula C26H16Cl2O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate.

Molecular Properties

Compound Name(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
PubChem CID54281074
Molecular FormulaC26H16Cl2O3
Molecular Weight447.32 g/mol
Exact Mass446.05
IUPAC Name(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
SMILESO=C(OC(=O)c1ccc(-c2ccccc2)cc1Cl)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C26H16Cl2O3/c27-23-15-19(17-7-3-1-4-8-17)11-13-21(23)25(29)31-26(30)22-14-12-20(16-24(22)28)18-9-5-2-6-10-18/h1-16H
InChIKeyRQVALBHJRGHAQQ-UHFFFAOYSA-N
XLogP7.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.32
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-phenylbenzoic acid
CID 21487426
ethyl 2-(2-chloro-4-phenylphenyl)-2-oxoacetate
CID 20515168
4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)benzoyl]oxycarbonylphenyl]phthalic acid
CID 19934257
(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
2-chloro-4-(3-methoxycarbonylphenyl)benzoate
CID 86307307
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
CID 53226407
methyl 2-amino-4-phenylbenzoate
CID 53412316
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate?
The IUPAC name of (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate (CID 54281074) is (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate.
What is the SMILES notation for (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate?
The canonical SMILES for (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate is O=C(OC(=O)c1ccc(-c2ccccc2)cc1Cl)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate?
The InChIKey is RQVALBHJRGHAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2O3/c27-23-15-19(17-7-3-1-4-8-17)11-13-21(23)25(29)31-26(30)22-14-12-20(16-24(22)28)18-9-5-2-6-10-18/h1-16H.
What are the key properties of (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate?
(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate has a molecular weight of 447.32 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate is sourced from PubChem (CID 54281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).