propan-2-yl 4-benzoyloxybenzoate

C17H16O4 — CID 17160844

IUPACpropan-2-yl 4-benzoyloxybenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-12(2)20-16(18)14-8-10-15(11-9-14)21-17(19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLQWIBFMNBFSCTK-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.47
Rot. Bonds4

About propan-2-yl 4-benzoyloxybenzoate

propan-2-yl 4-benzoyloxybenzoate (PubChem CID 17160844) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is propan-2-yl 4-benzoyloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-benzoyloxybenzoate
PubChem CID17160844
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namepropan-2-yl 4-benzoyloxybenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O4/c1-12(2)20-16(18)14-8-10-15(11-9-14)21-17(19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLQWIBFMNBFSCTK-UHFFFAOYSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 4-benzoyloxybenzoate 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

1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
CID 17162418
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
[4-[(Z)-3-oxo-2-propan-2-yloxycarbonylbut-1-enyl]phenyl] benzoate
CID 2315848
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[4-(4-propan-2-yloxycarbonylphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101077333
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-benzoyloxybenzoate?
The IUPAC name of propan-2-yl 4-benzoyloxybenzoate (CID 17160844) is propan-2-yl 4-benzoyloxybenzoate.
What is the SMILES notation for propan-2-yl 4-benzoyloxybenzoate?
The canonical SMILES for propan-2-yl 4-benzoyloxybenzoate is CC(C)OC(=O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-benzoyloxybenzoate?
The InChIKey is LQWIBFMNBFSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-12(2)20-16(18)14-8-10-15(11-9-14)21-17(19)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of propan-2-yl 4-benzoyloxybenzoate?
propan-2-yl 4-benzoyloxybenzoate has a molecular weight of 284.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-benzoyloxybenzoate is sourced from PubChem (CID 17160844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).