(4-ethoxyphenyl)methyl benzoate

C16H16O3 — CID 91595481

IUPAC(4-ethoxyphenyl)methyl benzoate
SMILESCCOc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-18-15-10-8-13(9-11-15)12-19-16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyOIWOMEBOFIQTNC-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.44
Rot. Bonds5

About (4-ethoxyphenyl)methyl benzoate

(4-ethoxyphenyl)methyl benzoate (PubChem CID 91595481) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl benzoate.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl benzoate
PubChem CID91595481
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4-ethoxyphenyl)methyl benzoate
SMILESCCOc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-2-18-15-10-8-13(9-11-15)12-19-16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKeyOIWOMEBOFIQTNC-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl benzoate
CID 2345
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629
benzamide;1,4-diethoxybenzene
CID 162120306
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
benzyl acetate;benzyl benzoate
CID 158805672
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
benzyl 4-(3-ethoxypentoxy)benzoate
CID 163788919
benzyl 4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxybenzoate
CID 19207652
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl benzoate?
The IUPAC name of (4-ethoxyphenyl)methyl benzoate (CID 91595481) is (4-ethoxyphenyl)methyl benzoate.
What is the SMILES notation for (4-ethoxyphenyl)methyl benzoate?
The canonical SMILES for (4-ethoxyphenyl)methyl benzoate is CCOc1ccc(COC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl benzoate?
The InChIKey is OIWOMEBOFIQTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-18-15-10-8-13(9-11-15)12-19-16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3.
What are the key properties of (4-ethoxyphenyl)methyl benzoate?
(4-ethoxyphenyl)methyl benzoate has a molecular weight of 256.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl benzoate is sourced from PubChem (CID 91595481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).