[4-(ethenoxymethyl)phenyl]methyl benzoate

C17H16O3 — CID 139924856

IUPAC[4-(ethenoxymethyl)phenyl]methyl benzoate
SMILESC=COCc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-19-12-14-8-10-15(11-9-14)13-20-17(18)16-6-4-3-5-7-16/h2-11H,1,12-13H2
InChIKeyQYDRJQNSAFHBOS-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.70
Rot. Bonds6

About [4-(ethenoxymethyl)phenyl]methyl benzoate

[4-(ethenoxymethyl)phenyl]methyl benzoate (PubChem CID 139924856) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [4-(ethenoxymethyl)phenyl]methyl benzoate.

Molecular Properties

Compound Name[4-(ethenoxymethyl)phenyl]methyl benzoate
PubChem CID139924856
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[4-(ethenoxymethyl)phenyl]methyl benzoate
SMILESC=COCc1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c1-2-19-12-14-8-10-15(11-9-14)13-20-17(18)16-6-4-3-5-7-16/h2-11H,1,12-13H2
InChIKeyQYDRJQNSAFHBOS-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [4-(ethenoxymethyl)phenyl]methyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl benzoate
CID 2345
2-[[4-(ethenoxymethyl)phenyl]methoxy]-2-oxoacetic acid
CID 139924862
ethenoxymethylbenzene
CID 11116115
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl acetate;benzyl benzoate
CID 158805672
benzyl benzoate;2-phenylacetic acid
CID 70386781
(4-ethoxyphenyl)methyl benzoate
CID 91595481
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
ethane;ethenoxymethylbenzene
CID 144676673
ethenoxymethylbenzene;ethenyl acetate
CID 70503458
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of [4-(ethenoxymethyl)phenyl]methyl benzoate?
The IUPAC name of [4-(ethenoxymethyl)phenyl]methyl benzoate (CID 139924856) is [4-(ethenoxymethyl)phenyl]methyl benzoate.
What is the SMILES notation for [4-(ethenoxymethyl)phenyl]methyl benzoate?
The canonical SMILES for [4-(ethenoxymethyl)phenyl]methyl benzoate is C=COCc1ccc(COC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(ethenoxymethyl)phenyl]methyl benzoate?
The InChIKey is QYDRJQNSAFHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-19-12-14-8-10-15(11-9-14)13-20-17(18)16-6-4-3-5-7-16/h2-11H,1,12-13H2.
What are the key properties of [4-(ethenoxymethyl)phenyl]methyl benzoate?
[4-(ethenoxymethyl)phenyl]methyl benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethenoxymethyl)phenyl]methyl benzoate is sourced from PubChem (CID 139924856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).