2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate

C23H19F3O5 — CID 89408480

IUPAC2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1c2ccccc2c(C(C)(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C23H19F3O5/c1-13(2)20(27)30-12-31-21(28)18-14-8-4-6-10-16(14)19(22(3,29)23(24,25)26)17-11-7-5-9-15(17)18/h4-11,29H,1,12H2,2-3H3
InChIKeyVXJQICRJFPQGQW-UHFFFAOYSA-N
MW432.39 g/mol
LogP5.00
Rot. Bonds5

About 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate

2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate (PubChem CID 89408480) has the molecular formula C23H19F3O5 and a molecular weight of 432.39 g/mol. Its IUPAC name is 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate
PubChem CID89408480
Molecular FormulaC23H19F3O5
Molecular Weight432.39 g/mol
Exact Mass432.12
IUPAC Name2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate
SMILESC=C(C)C(=O)OCOC(=O)c1c2ccccc2c(C(C)(O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C23H19F3O5/c1-13(2)20(27)30-12-31-21(28)18-14-8-4-6-10-16(14)19(22(3,29)23(24,25)26)17-11-7-5-9-15(17)18/h4-11,29H,1,12H2,2-3H3
InChIKeyVXJQICRJFPQGQW-UHFFFAOYSA-N
XLogP5.00
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate 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

[10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracen-9-yl]methyl prop-2-enoate
CID 89408495
2-methylprop-2-enoyloxymethyl 5-hydroxynaphthalene-1-carboxylate
CID 129174161
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
bis(acetyloxymethyl 2-methylprop-2-enoate);toluene
CID 158484803
10-(2-methylprop-2-enoyloxymethyl)anthracene-9-carboxylic acid
CID 129174154
2-methylprop-2-enoyloxymethyl thiophene-2-carboxylate
CID 20673042
2-anthracen-9-yl-1,1,1-trifluoropropan-2-ol
CID 18185588
[dimethoxy(naphthalen-1-yl)silyl]oxymethyl 2-methylprop-2-enoate
CID 163406049
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
2-methylprop-2-enoyloxymethyl 6,7-dihydroxynaphthalene-1-carboxylate
CID 129174183
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
dimethyl anthracene-9,10-dicarboxylate
CID 139057809

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate?
The IUPAC name of 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate (CID 89408480) is 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate.
What is the SMILES notation for 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate?
The canonical SMILES for 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate is C=C(C)C(=O)OCOC(=O)c1c2ccccc2c(C(C)(O)C(F)(F)F)c2ccccc12.
What is the InChIKey of 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate?
The InChIKey is VXJQICRJFPQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O5/c1-13(2)20(27)30-12-31-21(28)18-14-8-4-6-10-16(14)19(22(3,29)23(24,25)26)17-11-7-5-9-15(17)18/h4-11,29H,1,12H2,2-3H3.
What are the key properties of 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate?
2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate has a molecular weight of 432.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyloxymethyl 10-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anthracene-9-carboxylate is sourced from PubChem (CID 89408480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).