methyl 4-(4-chlorobenzoyl)oxybenzoate

C15H11ClO4 — CID 4943503

IUPACmethyl 4-(4-chlorobenzoyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClO4/c1-19-14(17)10-4-8-13(9-5-10)20-15(18)11-2-6-12(16)7-3-11/h2-9H,1H3
InChIKeyHHUFOXZNUHDPKS-UHFFFAOYSA-N
MW290.70 g/mol
LogP3.35
Rot. Bonds3

About methyl 4-(4-chlorobenzoyl)oxybenzoate

methyl 4-(4-chlorobenzoyl)oxybenzoate (PubChem CID 4943503) has the molecular formula C15H11ClO4 and a molecular weight of 290.70 g/mol. Its IUPAC name is methyl 4-(4-chlorobenzoyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(4-chlorobenzoyl)oxybenzoate
PubChem CID4943503
Molecular FormulaC15H11ClO4
Molecular Weight290.70 g/mol
Exact Mass290.03
IUPAC Namemethyl 4-(4-chlorobenzoyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClO4/c1-19-14(17)10-4-8-13(9-5-10)20-15(18)11-2-6-12(16)7-3-11/h2-9H,1H3
InChIKeyHHUFOXZNUHDPKS-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 4-methoxybenzoate
CID 532395
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
CID 19221018
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorobenzoyl)oxybenzoate?
The IUPAC name of methyl 4-(4-chlorobenzoyl)oxybenzoate (CID 4943503) is methyl 4-(4-chlorobenzoyl)oxybenzoate.
What is the SMILES notation for methyl 4-(4-chlorobenzoyl)oxybenzoate?
The canonical SMILES for methyl 4-(4-chlorobenzoyl)oxybenzoate is COC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-(4-chlorobenzoyl)oxybenzoate?
The InChIKey is HHUFOXZNUHDPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO4/c1-19-14(17)10-4-8-13(9-5-10)20-15(18)11-2-6-12(16)7-3-11/h2-9H,1H3.
What are the key properties of methyl 4-(4-chlorobenzoyl)oxybenzoate?
methyl 4-(4-chlorobenzoyl)oxybenzoate has a molecular weight of 290.70 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorobenzoyl)oxybenzoate is sourced from PubChem (CID 4943503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).