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

C24H22O5 — CID 19179629

IUPACbenzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
SMILESCCc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-2-18-8-12-21(13-9-18)27-17-23(25)29-22-14-10-20(11-15-22)24(26)28-16-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3
InChIKeyFYZWFBYPBYWPRT-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.59
Rot. Bonds8

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

benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate (PubChem CID 19179629) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namebenzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
PubChem CID19179629
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Namebenzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
SMILESCCc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-2-18-8-12-21(13-9-18)27-17-23(25)29-22-14-10-20(11-15-22)24(26)28-16-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3
InChIKeyFYZWFBYPBYWPRT-UHFFFAOYSA-N
XLogP4.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[2-(4-methoxyphenoxy)acetyl]oxybenzoate
CID 19179593
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
benzyl 4-[2-(2,3-dimethylphenoxy)acetyl]oxybenzoate
CID 19180126
(4-ethoxyphenyl)methyl benzoate
CID 91595481
benzyl 4-acetyloxybenzoate
CID 734064
benzyl 4-tridecanoyloxybenzoate
CID 22002898
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
benzyl 4-(12-bromododecanoyloxy)benzoate
CID 139781199
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
(4-phenylmethoxycarbonylphenyl) 4-(4-octoxyphenyl)benzoate
CID 15468088

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate?
The IUPAC name of benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate (CID 19179629) is benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate?
The canonical SMILES for benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate is CCc1ccc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1.
What is the InChIKey of benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate?
The InChIKey is FYZWFBYPBYWPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-2-18-8-12-21(13-9-18)27-17-23(25)29-22-14-10-20(11-15-22)24(26)28-16-19-6-4-3-5-7-19/h3-15H,2,16-17H2,1H3.
What are the key properties of benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate?
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 19179629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).