2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate

C24H22O5 — CID 17200232

IUPAC2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
SMILESCOc1ccc(CC(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C24H22O5/c1-27-20-13-11-19(12-14-20)17-23(25)29-22-10-6-5-9-21(22)24(26)28-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyHNCNUEPCVVGAOY-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.24
Rot. Bonds8

About 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate

2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate (PubChem CID 17200232) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
PubChem CID17200232
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
SMILESCOc1ccc(CC(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C24H22O5/c1-27-20-13-11-19(12-14-20)17-23(25)29-22-10-6-5-9-21(22)24(26)28-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyHNCNUEPCVVGAOY-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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

2-phenylethyl 2-butoxybenzoate
CID 141306389
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-phenylethyl 2-[2-(2,5-dimethylphenoxy)acetyl]oxybenzoate
CID 17200246
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
propyl 2-[3-[(2-phenylacetyl)amino]butanoyloxy]benzoate
CID 163678139
2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[2-(2-phenylethoxycarbonyl)phenyl] 3-bromo-4-propan-2-yloxybenzoate
CID 17200296
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The IUPAC name of 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate (CID 17200232) is 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate.
What is the SMILES notation for 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The canonical SMILES for 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate is COc1ccc(CC(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
The InChIKey is HNCNUEPCVVGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-27-20-13-11-19(12-14-20)17-23(25)29-22-10-6-5-9-21(22)24(26)28-16-15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3.
What are the key properties of 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate?
2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate is sourced from PubChem (CID 17200232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).