2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate

C202H285F2N7O35 — CID 160745134

IUPAC2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate
SMILESCC(=O)OCCOCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.COCCN(C)CCOC(=O)c1ccc(C(C)(C)C)c(C)c1.Cc1cc(C(=O)OCCCCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCN2CCC(F)(F)CC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2ccccn2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2cccnc2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCO)ccc1C(C)(C)C.Cc1cc(C(=O)Oc2ccccn2)ccc1C(C)(C)C
InChIInChI=1S/C21H33NO3.C20H31NO4.2C20H23NO4.C19H27F2NO2.C18H29NO3.C18H26O5.C17H19NO2.C17H26O2.C16H24O4.C16H24O2/c1-17-16-18(8-9-19(17)21(2,3)4)20(23)25-13-7-5-6-10-22-11-14-24-15-12-22;1-16-15-17(5-6-18(16)20(2,3)4)19(22)25-14-13-24-12-9-21-7-10-23-11-8-21;1-14-12-15(7-8-17(14)20(2,3)4)18(22)24-10-11-25-19(23)16-6-5-9-21-13-16;1-14-13-15(8-9-16(14)20(2,3)4)18(22)24-11-12-25-19(23)17-7-5-6-10-21-17;1-14-13-15(5-6-16(14)18(2,3)4)17(23)24-12-11-22-9-7-19(20,21)8-10-22;1-14-13-15(7-8-16(14)18(2,3)4)17(20)22-12-10-19(5)9-11-21-6;1-13-12-15(6-7-16(13)18(3,4)5)17(20)23-11-9-21-8-10-22-14(2)19;1-12-11-13(8-9-14(12)17(2,3)4)16(19)20-15-7-5-6-10-18-15;1-6-7-8-11-19-16(18)14-9-10-15(13(2)12-14)17(3,4)5;1-12-11-13(5-6-14(12)16(2,3)4)15(18)20-10-9-19-8-7-17;1-6-7-10-18-15(17)13-8-9-14(12(2)11-13)16(3,4)5/h8-9,16H,5-7,10-15H2,1-4H3;5-6,15H,7-14H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;5-10,13H,11-12H2,1-4H3;5-6,13H,7-12H2,1-4H3;7-8,13H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;5-11H,1-4H3;9-10,12H,6-8,11H2,1-5H3;5-6,11,17H,7-10H2,1-4H3;8-9,11H,6-7,10H2,1-5H3
InChIKeyRWCHBLNSIWVMNI-UHFFFAOYSA-N
MW3409.51 g/mol
LogP39.64
Rot. Bonds59

About 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate

2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate (PubChem CID 160745134) has the molecular formula C202H285F2N7O35 and a molecular weight of 3409.51 g/mol. Its IUPAC name is 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate.

Molecular Properties

Compound Name2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate
PubChem CID160745134
Molecular FormulaC202H285F2N7O35
Molecular Weight3409.51 g/mol
Exact Mass3407.07
IUPAC Name2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate
SMILESCC(=O)OCCOCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.COCCN(C)CCOC(=O)c1ccc(C(C)(C)C)c(C)c1.Cc1cc(C(=O)OCCCCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCN2CCC(F)(F)CC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2ccccn2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2cccnc2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCO)ccc1C(C)(C)C.Cc1cc(C(=O)Oc2ccccn2)ccc1C(C)(C)C
InChIInChI=1S/C21H33NO3.C20H31NO4.2C20H23NO4.C19H27F2NO2.C18H29NO3.C18H26O5.C17H19NO2.C17H26O2.C16H24O4.C16H24O2/c1-17-16-18(8-9-19(17)21(2,3)4)20(23)25-13-7-5-6-10-22-11-14-24-15-12-22;1-16-15-17(5-6-18(16)20(2,3)4)19(22)25-14-13-24-12-9-21-7-10-23-11-8-21;1-14-12-15(7-8-17(14)20(2,3)4)18(22)24-10-11-25-19(23)16-6-5-9-21-13-16;1-14-13-15(8-9-16(14)20(2,3)4)18(22)24-11-12-25-19(23)17-7-5-6-10-21-17;1-14-13-15(5-6-16(14)18(2,3)4)17(23)24-12-11-22-9-7-19(20,21)8-10-22;1-14-13-15(7-8-16(14)18(2,3)4)17(20)22-12-10-19(5)9-11-21-6;1-13-12-15(6-7-16(13)18(3,4)5)17(20)23-11-9-21-8-10-22-14(2)19;1-12-11-13(8-9-14(12)17(2,3)4)16(19)20-15-7-5-6-10-18-15;1-6-7-8-11-19-16(18)14-9-10-15(13(2)12-14)17(3,4)5;1-12-11-13(5-6-14(12)16(2,3)4)15(18)20-10-9-19-8-7-17;1-6-7-10-18-15(17)13-8-9-14(12(2)11-13)16(3,4)5/h8-9,16H,5-7,10-15H2,1-4H3;5-6,15H,7-14H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;5-10,13H,11-12H2,1-4H3;5-6,13H,7-12H2,1-4H3;7-8,13H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;5-11H,1-4H3;9-10,12H,6-8,11H2,1-5H3;5-6,11,17H,7-10H2,1-4H3;8-9,11H,6-7,10H2,1-5H3
InChIKeyRWCHBLNSIWVMNI-UHFFFAOYSA-N
XLogP39.64
TPSA495.44 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds59
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003409.51
LogP ≤ 539.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate with MolForge

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Related Compounds

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CID 157798340
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CID 159003068
3,3-Difluoro-7-(3-methylphenoxy)heptan-2-one;2,2-difluoro-1-(3-methylphenyl)-6-phenoxyhexan-1-one;2,2-difluoro-1-(6-methyl-2-pyridinyl)-2-(4-phenylphenyl)ethanone;3,3-difluoro-7-phenoxyheptan-2-one;3,3-difluoro-8-phenoxyoctan-2-one;2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol;2,2-difluoro-1-(4-phenylphenyl)-2-pyridin-2-ylethanone;2,2-difluoro-2-phenyl-1-(4-pyridin-2-ylphenyl)ethanone;methane
CID 159602554
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2-Methoxy-5-(3-methylphenyl)pyridine;2-methyl-5-(3-methylphenyl)pyridine;methyl 5-(3-methylphenyl)pyridine-2-carboxylate;5-(3-methylphenyl)pyridine-2-carboxylic acid;5-(3-methylphenyl)-2-(trifluoromethyl)pyridine;2-methylpyridine;3-methylpyridine
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But-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
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5-[5-Tert-butyl-2-[3-[4-tert-butyl-2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-(6-formyloxy-3-pyridinyl)phenyl]cyclohexyl]phenyl]pyridine-2-carboxylic acid
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5-(5,5,8,8-Tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-2-carboxylic acid;6-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate?
The IUPAC name of 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate (CID 160745134) is 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate.
What is the SMILES notation for 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate?
The canonical SMILES for 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate is CC(=O)OCCOCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.CCCCOC(=O)c1ccc(C(C)(C)C)c(C)c1.COCCN(C)CCOC(=O)c1ccc(C(C)(C)C)c(C)c1.Cc1cc(C(=O)OCCCCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCN2CCC(F)(F)CC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2ccccn2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOC(=O)c2cccnc2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCN2CCOCC2)ccc1C(C)(C)C.Cc1cc(C(=O)OCCOCCO)ccc1C(C)(C)C.Cc1cc(C(=O)Oc2ccccn2)ccc1C(C)(C)C.
What is the InChIKey of 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate?
The InChIKey is RWCHBLNSIWVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3.C20H31NO4.2C20H23NO4.C19H27F2NO2.C18H29NO3.C18H26O5.C17H19NO2.C17H26O2.C16H24O4.C16H24O2/c1-17-16-18(8-9-19(17)21(2,3)4)20(23)25-13-7-5-6-10-22-11-14-24-15-12-22;1-16-15-17(5-6-18(16)20(2,3)4)19(22)25-14-13-24-12-9-21-7-10-23-11-8-21;1-14-12-15(7-8-17(14)20(2,3)4)18(22)24-10-11-25-19(23)16-6-5-9-21-13-16;1-14-13-15(8-9-16(14)20(2,3)4)18(22)24-11-12-25-19(23)17-7-5-6-10-21-17;1-14-13-15(5-6-16(14)18(2,3)4)17(23)24-12-11-22-9-7-19(20,21)8-10-22;1-14-13-15(7-8-16(14)18(2,3)4)17(20)22-12-10-19(5)9-11-21-6;1-13-12-15(6-7-16(13)18(3,4)5)17(20)23-11-9-21-8-10-22-14(2)19;1-12-11-13(8-9-14(12)17(2,3)4)16(19)20-15-7-5-6-10-18-15;1-6-7-8-11-19-16(18)14-9-10-15(13(2)12-14)17(3,4)5;1-12-11-13(5-6-14(12)16(2,3)4)15(18)20-10-9-19-8-7-17;1-6-7-10-18-15(17)13-8-9-14(12(2)11-13)16(3,4)5/h8-9,16H,5-7,10-15H2,1-4H3;5-6,15H,7-14H2,1-4H3;5-9,12-13H,10-11H2,1-4H3;5-10,13H,11-12H2,1-4H3;5-6,13H,7-12H2,1-4H3;7-8,13H,9-12H2,1-6H3;6-7,12H,8-11H2,1-5H3;5-11H,1-4H3;9-10,12H,6-8,11H2,1-5H3;5-6,11,17H,7-10H2,1-4H3;8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate?
2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate has a molecular weight of 3409.51 g/mol, XLogP of 39.64, 59 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate is sourced from PubChem (CID 160745134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).