benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate

C23H20O6 — CID 19179593

IUPACbenzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
SMILESCOc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O6/c1-26-19-11-13-20(14-12-19)27-16-22(24)29-21-9-7-18(8-10-21)23(25)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyCJHNPQXNRRCVKE-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.04
Rot. Bonds8

About benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate

benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate (PubChem CID 19179593) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namebenzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
PubChem CID19179593
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Namebenzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
SMILESCOc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O6/c1-26-19-11-13-20(14-12-19)27-16-22(24)29-21-9-7-18(8-10-21)23(25)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyCJHNPQXNRRCVKE-UHFFFAOYSA-N
XLogP4.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
benzyl 4-[2-(2,3-dimethylphenoxy)acetyl]oxybenzoate
CID 19180126
2-methylpropyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 17149601
benzyl 4-acetyloxybenzoate
CID 734064
methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
benzyl 4-tridecanoyloxybenzoate
CID 22002898
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-(12-bromododecanoyloxy)benzoate
CID 139781199
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate?
The IUPAC name of benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate (CID 19179593) is benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate?
The canonical SMILES for benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate is COc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1.
What is the InChIKey of benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate?
The InChIKey is CJHNPQXNRRCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-26-19-11-13-20(14-12-19)27-16-22(24)29-21-9-7-18(8-10-21)23(25)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3.
What are the key properties of benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate?
benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate has a molecular weight of 392.41 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 19179593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).