methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate

C17H15ClO4 — CID 19221018

IUPACmethyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
SMILESCOC(=O)c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO4/c1-21-17(20)13-5-9-15(10-6-13)22-16(19)11-4-12-2-7-14(18)8-3-12/h2-3,5-10H,4,11H2,1H3
InChIKeyGDFGUSAEKLZLJN-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.66
Rot. Bonds5

About methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate

methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate (PubChem CID 19221018) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
PubChem CID19221018
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Namemethyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
SMILESCOC(=O)c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO4/c1-21-17(20)13-5-9-15(10-6-13)22-16(19)11-4-12-2-7-14(18)8-3-12/h2-3,5-10H,4,11H2,1H3
InChIKeyGDFGUSAEKLZLJN-UHFFFAOYSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.66
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-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
(4-chlorophenyl) 3-(4-ethoxy-3-methoxyphenyl)propanoate
CID 19221915
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[[2-(4-chlorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 34668652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate?
The IUPAC name of methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate (CID 19221018) is methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate.
What is the SMILES notation for methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate?
The canonical SMILES for methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate is COC(=O)c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate?
The InChIKey is GDFGUSAEKLZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-21-17(20)13-5-9-15(10-6-13)22-16(19)11-4-12-2-7-14(18)8-3-12/h2-3,5-10H,4,11H2,1H3.
What are the key properties of methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate?
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate has a molecular weight of 318.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate is sourced from PubChem (CID 19221018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).