1-benzoyloxyethyl 4-hydroxybenzoate

C16H14O5 — CID 22257585

IUPAC1-benzoyloxyethyl 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14O5/c1-11(20-15(18)12-5-3-2-4-6-12)21-16(19)13-7-9-14(17)10-8-13/h2-11,17H,1H3
InChIKeyQDHMIMFYIFPJKT-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.75
Rot. Bonds4

About 1-benzoyloxyethyl 4-hydroxybenzoate

1-benzoyloxyethyl 4-hydroxybenzoate (PubChem CID 22257585) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-benzoyloxyethyl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-benzoyloxyethyl 4-hydroxybenzoate
PubChem CID22257585
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name1-benzoyloxyethyl 4-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14O5/c1-11(20-15(18)12-5-3-2-4-6-12)21-16(19)13-7-9-14(17)10-8-13/h2-11,17H,1H3
InChIKeyQDHMIMFYIFPJKT-UHFFFAOYSA-N
XLogP2.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-benzoyloxyethyl 4-hydroxybenzoate 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

zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate
CID 174499902
1-phenylmethoxyethyl benzoate
CID 147024135
1-fluoroethyl 4-hydroxybenzoate
CID 175530732
4-benzoyloxypentanoic acid;phenol
CID 175108201
1-phenylethyl benzoate
CID 174857426
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
1,1,1-trichloropropan-2-yl benzoate
CID 569862
[(1R)-1-(2-aminoethylsulfanylcarbonyloxy)ethyl] benzoate
CID 126709602
propan-2-yl 4-benzoyloxybenzoate
CID 17160844

Frequently Asked Questions

What is the IUPAC name of 1-benzoyloxyethyl 4-hydroxybenzoate?
The IUPAC name of 1-benzoyloxyethyl 4-hydroxybenzoate (CID 22257585) is 1-benzoyloxyethyl 4-hydroxybenzoate.
What is the SMILES notation for 1-benzoyloxyethyl 4-hydroxybenzoate?
The canonical SMILES for 1-benzoyloxyethyl 4-hydroxybenzoate is CC(OC(=O)c1ccccc1)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-benzoyloxyethyl 4-hydroxybenzoate?
The InChIKey is QDHMIMFYIFPJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-11(20-15(18)12-5-3-2-4-6-12)21-16(19)13-7-9-14(17)10-8-13/h2-11,17H,1H3.
What are the key properties of 1-benzoyloxyethyl 4-hydroxybenzoate?
1-benzoyloxyethyl 4-hydroxybenzoate has a molecular weight of 286.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyloxyethyl 4-hydroxybenzoate is sourced from PubChem (CID 22257585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).