(4-chloro-2-formylphenyl) 4-chlorobenzoate

C14H8Cl2O3 — CID 806646

IUPAC(4-chloro-2-formylphenyl) 4-chlorobenzoate
SMILESO=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2O3/c15-11-3-1-9(2-4-11)14(18)19-13-6-5-12(16)7-10(13)8-17/h1-8H
InChIKeySQIHPIGPVLGBLN-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.03
Rot. Bonds3

About (4-chloro-2-formylphenyl) 4-chlorobenzoate

(4-chloro-2-formylphenyl) 4-chlorobenzoate (PubChem CID 806646) has the molecular formula C14H8Cl2O3 and a molecular weight of 295.12 g/mol. Its IUPAC name is (4-chloro-2-formylphenyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(4-chloro-2-formylphenyl) 4-chlorobenzoate
PubChem CID806646
Molecular FormulaC14H8Cl2O3
Molecular Weight295.12 g/mol
Exact Mass293.99
IUPAC Name(4-chloro-2-formylphenyl) 4-chlorobenzoate
SMILESO=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2O3/c15-11-3-1-9(2-4-11)14(18)19-13-6-5-12(16)7-10(13)8-17/h1-8H
InChIKeySQIHPIGPVLGBLN-UHFFFAOYSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-formylphenyl) 4-methylbenzoate
CID 4766937
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(2-bromo-4-formylphenyl) 4-chlorobenzoate
CID 4766641
[4-chloro-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126229252
[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
CID 126226465
(4-formyl-2,6-dimethoxyphenyl) 4-chlorobenzoate
CID 820015
(4-chloro-2-formylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 713446
[2,5-ditert-butyl-4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 2800246
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(4-bromo-2-formylphenyl) 3-bromobenzoate
CID 4766842
chloro 4-chlorobenzoate
CID 67325757
5-O-(4-chloro-2-formylphenyl) 1-O-(2-methylpropyl) pentanedioate
CID 91709356

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-formylphenyl) 4-chlorobenzoate?
The IUPAC name of (4-chloro-2-formylphenyl) 4-chlorobenzoate (CID 806646) is (4-chloro-2-formylphenyl) 4-chlorobenzoate.
What is the SMILES notation for (4-chloro-2-formylphenyl) 4-chlorobenzoate?
The canonical SMILES for (4-chloro-2-formylphenyl) 4-chlorobenzoate is O=Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chloro-2-formylphenyl) 4-chlorobenzoate?
The InChIKey is SQIHPIGPVLGBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O3/c15-11-3-1-9(2-4-11)14(18)19-13-6-5-12(16)7-10(13)8-17/h1-8H.
What are the key properties of (4-chloro-2-formylphenyl) 4-chlorobenzoate?
(4-chloro-2-formylphenyl) 4-chlorobenzoate has a molecular weight of 295.12 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-formylphenyl) 4-chlorobenzoate is sourced from PubChem (CID 806646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).