2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol

C187H278O16 — CID 159542133

IUPAC2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol
SMILESCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCc1cc(C(C)C)c(O)c(C(C)C)c1.CCCc1cc(C)c(O)c(C)c1.CCCc1cc(CC)c(O)c(CC)c1.CCCc1ccc(O)cc1.CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(C(C)C)c(O)c(C(C)C)c1.CCc1cc(C)c(O)c(C)c1.CCc1cc(C)cc(CC)c1O.CCc1cc(CC)c(O)c(CC)c1.CCc1ccc(O)cc1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)C)c(O)c(C(C)C)c1.Cc1cc(C)c(O)c(C)c1.Cc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C17H28O.C16H26O.2C15H24O.C14H22O.2C13H20O.C12H18O.2C11H16O.C10H14O.2C9H12O.C8H10O.2C7H8O/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-6-7-12-8-13(10(2)3)15(16)14(9-12)11(4)5;1-6-11-7-12(9(2)3)14(15)13(8-11)10(4)5;1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;1-4-7-10-8-11(5-2)13(14)12(6-3)9-10;1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-4-5-10-6-8(2)11(12)9(3)7-10;1-4-9-6-8(3)7-10(5-2)11(9)12;1-4-9-5-7(2)10(11)8(3)6-9;1-6-4-7(2)9(10)8(3)5-6;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h10-11,18H,8-9H2,1-7H3;9-10,17H,8H2,1-7H3;8-9,16H,1-7H3;8-11,16H,6-7H2,1-5H3;7-10,15H,6H2,1-5H3;6-9,14H,1-5H3;8-9,14H,4-7H2,1-3H3;7-8,13H,4-6H2,1-3H3;2*6-7,12H,4-5H2,1-3H3;5-6,11H,4H2,1-3H3;4-5,10H,1-3H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;2*2-5,8H,1H3
InChIKeyMEISLYUVFLRMNK-UHFFFAOYSA-N
MW2782.26 g/mol
LogP51.45
Rot. Bonds27

About 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol

2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol (PubChem CID 159542133) has the molecular formula C187H278O16 and a molecular weight of 2782.26 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol
PubChem CID159542133
Molecular FormulaC187H278O16
Molecular Weight2782.26 g/mol
Exact Mass2780.09
IUPAC Name2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol
SMILESCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCc1cc(C(C)C)c(O)c(C(C)C)c1.CCCc1cc(C)c(O)c(C)c1.CCCc1cc(CC)c(O)c(CC)c1.CCCc1ccc(O)cc1.CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(C(C)C)c(O)c(C(C)C)c1.CCc1cc(C)c(O)c(C)c1.CCc1cc(C)cc(CC)c1O.CCc1cc(CC)c(O)c(CC)c1.CCc1ccc(O)cc1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)C)c(O)c(C(C)C)c1.Cc1cc(C)c(O)c(C)c1.Cc1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C17H28O.C16H26O.2C15H24O.C14H22O.2C13H20O.C12H18O.2C11H16O.C10H14O.2C9H12O.C8H10O.2C7H8O/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-6-7-12-8-13(10(2)3)15(16)14(9-12)11(4)5;1-6-11-7-12(9(2)3)14(15)13(8-11)10(4)5;1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;1-4-7-10-8-11(5-2)13(14)12(6-3)9-10;1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-4-5-10-6-8(2)11(12)9(3)7-10;1-4-9-6-8(3)7-10(5-2)11(9)12;1-4-9-5-7(2)10(11)8(3)6-9;1-6-4-7(2)9(10)8(3)5-6;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h10-11,18H,8-9H2,1-7H3;9-10,17H,8H2,1-7H3;8-9,16H,1-7H3;8-11,16H,6-7H2,1-5H3;7-10,15H,6H2,1-5H3;6-9,14H,1-5H3;8-9,14H,4-7H2,1-3H3;7-8,13H,4-6H2,1-3H3;2*6-7,12H,4-5H2,1-3H3;5-6,11H,4H2,1-3H3;4-5,10H,1-3H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;2*2-5,8H,1H3
InChIKeyMEISLYUVFLRMNK-UHFFFAOYSA-N
XLogP51.45
TPSA323.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.26
LogP ≤ 551.45
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Analyze 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol 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

2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
2,6-ditert-butyl-4-methylphenol;3-methylphenol
CID 141330574
4-(2,6-ditert-butyl-4-propylphenyl)phenol
CID 175331459
3-methylphenol;4-methylphenol;propane
CID 157147188
2,6-ditert-butyl-4-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]sulfanylmethyl]phenol
CID 154105521
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
ethane;1-ethyl-4-methylbenzene;1-ethyl-2-propylbenzene;methane;1-propan-2-yl-4-propylbenzene
CID 176686204
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
CID 88729170

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol?
The IUPAC name of 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol (CID 159542133) is 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol.
What is the SMILES notation for 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol?
The canonical SMILES for 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol is CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCc1cc(C(C)C)c(O)c(C(C)C)c1.CCCc1cc(C)c(O)c(C)c1.CCCc1cc(CC)c(O)c(CC)c1.CCCc1ccc(O)cc1.CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCc1cc(C(C)C)c(O)c(C(C)C)c1.CCc1cc(C)c(O)c(C)c1.CCc1cc(C)cc(CC)c1O.CCc1cc(CC)c(O)c(CC)c1.CCc1ccc(O)cc1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)C)c(O)c(C(C)C)c1.Cc1cc(C)c(O)c(C)c1.Cc1ccc(O)cc1.Cc1cccc(O)c1.
What is the InChIKey of 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol?
The InChIKey is MEISLYUVFLRMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.C16H26O.2C15H24O.C14H22O.2C13H20O.C12H18O.2C11H16O.C10H14O.2C9H12O.C8H10O.2C7H8O/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7;1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-6-7-12-8-13(10(2)3)15(16)14(9-12)11(4)5;1-6-11-7-12(9(2)3)14(15)13(8-11)10(4)5;1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;1-4-7-10-8-11(5-2)13(14)12(6-3)9-10;1-4-9-7-10(5-2)12(13)11(6-3)8-9;1-4-5-10-6-8(2)11(12)9(3)7-10;1-4-9-6-8(3)7-10(5-2)11(9)12;1-4-9-5-7(2)10(11)8(3)6-9;1-6-4-7(2)9(10)8(3)5-6;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h10-11,18H,8-9H2,1-7H3;9-10,17H,8H2,1-7H3;8-9,16H,1-7H3;8-11,16H,6-7H2,1-5H3;7-10,15H,6H2,1-5H3;6-9,14H,1-5H3;8-9,14H,4-7H2,1-3H3;7-8,13H,4-6H2,1-3H3;2*6-7,12H,4-5H2,1-3H3;5-6,11H,4H2,1-3H3;4-5,10H,1-3H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;2*2-5,8H,1H3.
What are the key properties of 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol?
2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol has a molecular weight of 2782.26 g/mol, XLogP of 51.45, 27 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol;2,6-ditert-butyl-4-propylphenol;2,6-diethyl-4-methylphenol;2,6-diethyl-4-propylphenol;2,6-dimethyl-4-propylphenol;2,6-di(propan-2-yl)-4-propylphenol;4-ethyl-2,6-dimethylphenol;4-ethyl-2,6-di(propan-2-yl)phenol;4-ethylphenol;4-methyl-2,6-di(propan-2-yl)phenol;3-methylphenol;4-methylphenol;4-propylphenol;2,4,6-triethylphenol;2,4,6-trimethylphenol is sourced from PubChem (CID 159542133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).