prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate

C22H24O4 — CID 21474565

IUPACprop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
SMILESC=CCOC(=O)c1ccc(COC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H24O4/c1-5-14-25-20(23)17-8-6-16(7-9-17)15-26-21(24)18-10-12-19(13-11-18)22(2,3)4/h5-13H,1,14-15H2,2-4H3
InChIKeyADEYSTKGARJVRD-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.68
Rot. Bonds6

About prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate

prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate (PubChem CID 21474565) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
PubChem CID21474565
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Nameprop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
SMILESC=CCOC(=O)c1ccc(COC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H24O4/c1-5-14-25-20(23)17-8-6-16(7-9-17)15-26-21(24)18-10-12-19(13-11-18)22(2,3)4/h5-13H,1,14-15H2,2-4H3
InChIKeyADEYSTKGARJVRD-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]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

(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344
[4-(trifluoromethyl)phenyl]methyl 4-tert-butylbenzoate
CID 2743784
(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-tert-butylphenyl)methyl 4-nitrobenzoate
CID 976076
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
CID 137442324
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
(E)-6-ethenoxy-6-oxohex-2-enoic acid;prop-2-enyl 4-tert-butylbenzoate
CID 67924644
1,3-benzodioxol-5-ylmethyl 4-tert-butylbenzoate
CID 7891886
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
CID 89090655

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate?
The IUPAC name of prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate (CID 21474565) is prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate.
What is the SMILES notation for prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate?
The canonical SMILES for prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate is C=CCOC(=O)c1ccc(COC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate?
The InChIKey is ADEYSTKGARJVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-5-14-25-20(23)17-8-6-16(7-9-17)15-26-21(24)18-10-12-19(13-11-18)22(2,3)4/h5-13H,1,14-15H2,2-4H3.
What are the key properties of prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate?
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate has a molecular weight of 352.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate is sourced from PubChem (CID 21474565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).