(4-chloro-2-formylphenyl) 4-methylbenzoate

C15H11ClO3 — CID 4766937

IUPAC(4-chloro-2-formylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C15H11ClO3/c1-10-2-4-11(5-3-10)15(18)19-14-7-6-13(16)8-12(14)9-17/h2-9H,1H3
InChIKeyCEXXDVMLGPDYAW-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.68
Rot. Bonds3

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

(4-chloro-2-formylphenyl) 4-methylbenzoate (PubChem CID 4766937) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is (4-chloro-2-formylphenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(4-chloro-2-formylphenyl) 4-methylbenzoate
PubChem CID4766937
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name(4-chloro-2-formylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(Cl)cc2C=O)cc1
InChIInChI=1S/C15H11ClO3/c1-10-2-4-11(5-3-10)15(18)19-14-7-6-13(16)8-12(14)9-17/h2-9H,1H3
InChIKeyCEXXDVMLGPDYAW-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.68
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-chlorobenzoate
CID 806646
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(4-chloro-2-methylphenyl) 4-phenylbenzoate
CID 4850627
[4-chloro-2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 126230821
(4-bromo-2-chlorophenyl) 4-methylbenzoate
CID 833480
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
(2-bromo-4-formylphenyl) 4-chlorobenzoate
CID 4766641
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
CID 126226465
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-formylphenyl) 4-methylbenzoate?
The IUPAC name of (4-chloro-2-formylphenyl) 4-methylbenzoate (CID 4766937) is (4-chloro-2-formylphenyl) 4-methylbenzoate.
What is the SMILES notation for (4-chloro-2-formylphenyl) 4-methylbenzoate?
The canonical SMILES for (4-chloro-2-formylphenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(Cl)cc2C=O)cc1.
What is the InChIKey of (4-chloro-2-formylphenyl) 4-methylbenzoate?
The InChIKey is CEXXDVMLGPDYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c1-10-2-4-11(5-3-10)15(18)19-14-7-6-13(16)8-12(14)9-17/h2-9H,1H3.
What are the key properties of (4-chloro-2-formylphenyl) 4-methylbenzoate?
(4-chloro-2-formylphenyl) 4-methylbenzoate has a molecular weight of 274.70 g/mol, XLogP of 3.68, 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-methylbenzoate is sourced from PubChem (CID 4766937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).