2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

C156H247N5O21S5 — CID 158895069

IUPAC2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
SMILESCC(C)(C)CC(C)(C)c1cc(O)ccc1O.CC(C)(C)c1cc(O)ccc1O.CCCCCCCCCCCCCCCCCC(=O)OCC1(C)CN(c2ccccc2)NC1=O.CCCCCCCCCCCCCCCCOc1cc(NS(=O)(=O)c2ccccc2)c(O)cc1C(C)(C)CC(C)(C)C.CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(C)c(O)c(C)c1.CCCCCCCCCCCCc1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccccc1.Cc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C36H59NO4S.C29H48N2O3.C24H43NO3S.C19H32O2S.C17H21NO3S.C14H22O2.C10H14O2.C7H8O2S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-41-34-28-32(37-42(39,40)30-24-21-20-22-25-30)33(38)27-31(34)36(5,6)29-35(2,3)4;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)34-25-29(2)24-31(30-28(29)33)26-21-18-17-19-22-26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(27,28)25-23-19-21(2)24(26)22(3)20-23;1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)22(2,20)21;1-12-10-16(19)15(11-14(12)17(2,3)4)18-22(20,21)13-8-6-5-7-9-13;1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16;1-10(2,3)8-6-7(11)4-5-9(8)12;1-10(8,9)7-5-3-2-4-6-7/h20-22,24-25,27-28,37-38H,7-19,23,26,29H2,1-6H3;17-19,21-22H,3-16,20,23-25H2,1-2H3,(H,30,33);19-20,25-26H,4-18H2,1-3H3;14-17H,3-13H2,1-2H3;5-11,18-19H,1-4H3;6-8,15-16H,9H2,1-5H3;4-6,11-12H,1-3H3;2-6H,1H3
InChIKeyJESRHMPYUCGOFC-UHFFFAOYSA-N
MW2689.04 g/mol
LogP42.00
Rot. Bonds75

About 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol (PubChem CID 158895069) has the molecular formula C156H247N5O21S5 and a molecular weight of 2689.04 g/mol. Its IUPAC name is 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
PubChem CID158895069
Molecular FormulaC156H247N5O21S5
Molecular Weight2689.04 g/mol
Exact Mass2686.70
IUPAC Name2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
SMILESCC(C)(C)CC(C)(C)c1cc(O)ccc1O.CC(C)(C)c1cc(O)ccc1O.CCCCCCCCCCCCCCCCCC(=O)OCC1(C)CN(c2ccccc2)NC1=O.CCCCCCCCCCCCCCCCOc1cc(NS(=O)(=O)c2ccccc2)c(O)cc1C(C)(C)CC(C)(C)C.CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(C)c(O)c(C)c1.CCCCCCCCCCCCc1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccccc1.Cc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C36H59NO4S.C29H48N2O3.C24H43NO3S.C19H32O2S.C17H21NO3S.C14H22O2.C10H14O2.C7H8O2S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-41-34-28-32(37-42(39,40)30-24-21-20-22-25-30)33(38)27-31(34)36(5,6)29-35(2,3)4;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)34-25-29(2)24-31(30-28(29)33)26-21-18-17-19-22-26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(27,28)25-23-19-21(2)24(26)22(3)20-23;1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)22(2,20)21;1-12-10-16(19)15(11-14(12)17(2,3)4)18-22(20,21)13-8-6-5-7-9-13;1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16;1-10(2,3)8-6-7(11)4-5-9(8)12;1-10(8,9)7-5-3-2-4-6-7/h20-22,24-25,27-28,37-38H,7-19,23,26,29H2,1-6H3;17-19,21-22H,3-16,20,23-25H2,1-2H3,(H,30,33);19-20,25-26H,4-18H2,1-3H3;14-17H,3-13H2,1-2H3;5-11,18-19H,1-4H3;6-8,15-16H,9H2,1-5H3;4-6,11-12H,1-3H3;2-6H,1H3
InChIKeyJESRHMPYUCGOFC-UHFFFAOYSA-N
XLogP42.00
TPSA416.27 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds75
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.04
LogP ≤ 542.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol with MolForge

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Related Compounds

N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)benzenesulfonamide
CID 19747071
3-[(5-cyano-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 136825121
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
ethyl 4-[5-amino-2-(benzenesulfonamido)phenoxy]butanoate
CID 59419102
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
ethyl 2-[5-(benzenesulfonamido)-1,3-dioxo-6-(4-phenylbutoxy)isoindol-2-yl]propanoate
CID 171779254
2-[(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methoxy]-N-(3-methylphenyl)tetradecanamide
CID 59943373
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
5-[[4-[[6-tert-butyl-2-[4-(methanesulfonamido)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]diazenyl]-3-fluorophenyl]sulfonylamino]-N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]-2-morpholin-4-ylbenzenesulfonamide
CID 136784457
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
1-O-decyl 10-O-(3-phenylpropyl) decanedioate
CID 91710196
5-phenylpentyl octanoate
CID 102283660

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol?
The IUPAC name of 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol (CID 158895069) is 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol is CC(C)(C)CC(C)(C)c1cc(O)ccc1O.CC(C)(C)c1cc(O)ccc1O.CCCCCCCCCCCCCCCCCC(=O)OCC1(C)CN(c2ccccc2)NC1=O.CCCCCCCCCCCCCCCCOc1cc(NS(=O)(=O)c2ccccc2)c(O)cc1C(C)(C)CC(C)(C)C.CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(C)c(O)c(C)c1.CCCCCCCCCCCCc1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccccc1.Cc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol?
The InChIKey is JESRHMPYUCGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59NO4S.C29H48N2O3.C24H43NO3S.C19H32O2S.C17H21NO3S.C14H22O2.C10H14O2.C7H8O2S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-41-34-28-32(37-42(39,40)30-24-21-20-22-25-30)33(38)27-31(34)36(5,6)29-35(2,3)4;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)34-25-29(2)24-31(30-28(29)33)26-21-18-17-19-22-26;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(27,28)25-23-19-21(2)24(26)22(3)20-23;1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)22(2,20)21;1-12-10-16(19)15(11-14(12)17(2,3)4)18-22(20,21)13-8-6-5-7-9-13;1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16;1-10(2,3)8-6-7(11)4-5-9(8)12;1-10(8,9)7-5-3-2-4-6-7/h20-22,24-25,27-28,37-38H,7-19,23,26,29H2,1-6H3;17-19,21-22H,3-16,20,23-25H2,1-2H3,(H,30,33);19-20,25-26H,4-18H2,1-3H3;14-17H,3-13H2,1-2H3;5-11,18-19H,1-4H3;6-8,15-16H,9H2,1-5H3;4-6,11-12H,1-3H3;2-6H,1H3.
What are the key properties of 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol?
2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol has a molecular weight of 2689.04 g/mol, XLogP of 42.00, 75 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzene-1,4-diol;N-(5-tert-butyl-2-hydroxy-4-methylphenyl)benzenesulfonamide;1-dodecyl-4-methylsulfonylbenzene;N-[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]benzenesulfonamide;N-(4-hydroxy-3,5-dimethylphenyl)hexadecane-1-sulfonamide;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate;methylsulfonylbenzene;2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 158895069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).