5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C128H207O13P3 — CID 159136689

IUPAC5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESC.C.CC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(c2ccc(C(C)(C)C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOC(=O)CC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C2COc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C35H62O3.C33H50O5P2.C24H32O.C20H32O3.C14H23OP.2CH4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-36-21-33(22-37-40)19-34-39(35-20-33)28-16-14-24(30(4,5)6)18-26(28)32(10,11)12;1-15-9-10-17(11-16(15)2)20-14-25-22-19(20)12-18(23(3,4)5)13-21(22)24(6,7)8;1-9-23-17(21)10-13(2)14-11-15(19(3,4)5)18(22)16(12-14)20(6,7)8;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;;/h27-28,37H,8-26H2,1-7H3;13-18H,19-22H2,1-12H3;9-13,20H,14H2,1-8H3;11-13,22H,9-10H2,1-8H3;7-9H,16H2,1-6H3;2*1H4
InChIKeyKHOSGHSPYRXPSC-UHFFFAOYSA-N
MW2046.97 g/mol
LogP37.11
Rot. Bonds29

About 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 159136689) has the molecular formula C128H207O13P3 and a molecular weight of 2046.97 g/mol. Its IUPAC name is 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID159136689
Molecular FormulaC128H207O13P3
Molecular Weight2046.97 g/mol
Exact Mass2045.47
IUPAC Name5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESC.C.CC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(c2ccc(C(C)(C)C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOC(=O)CC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C2COc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C
InChIInChI=1S/C35H62O3.C33H50O5P2.C24H32O.C20H32O3.C14H23OP.2CH4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-36-21-33(22-37-40)19-34-39(35-20-33)28-16-14-24(30(4,5)6)18-26(28)32(10,11)12;1-15-9-10-17(11-16(15)2)20-14-25-22-19(20)12-18(23(3,4)5)13-21(22)24(6,7)8;1-9-23-17(21)10-13(2)14-11-15(19(3,4)5)18(22)16(12-14)20(6,7)8;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;;/h27-28,37H,8-26H2,1-7H3;13-18H,19-22H2,1-12H3;9-13,20H,14H2,1-8H3;11-13,22H,9-10H2,1-8H3;7-9H,16H2,1-6H3;2*1H4
InChIKeyKHOSGHSPYRXPSC-UHFFFAOYSA-N
XLogP37.11
TPSA157.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002046.97
LogP ≤ 537.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate 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

methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88503135
octadecyl 3-[3,5-ditert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]propanoate
CID 70403009
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 160740972
2,6-ditert-butyl-4-methylphenol;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 88606677
octadecyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 156861639
hexyl 3-[3-tert-butyl-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-hydroxyphenyl]propanoate
CID 175394053
octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 158452826
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phenol
CID 22445844
7-propylpentadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 22561152
octadecyl 3-[3,5-ditert-butyl-4-[(1,9-ditert-butyl-3,5,7-trimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]propanoate
CID 18358564
octadecyl 3-[3,5-ditert-butyl-4-[(2,4-ditert-butylphenoxy)-fluorophosphanyl]oxyphenyl]propanoate
CID 54542364

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 159136689) is 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is C.C.CC(C)(C)c1ccc(OP)c(C(C)(C)C)c1.CC(C)(C)c1ccc(OP2OCC3(CO2)COP(c2ccc(C(C)(C)C)cc2C(C)(C)C)OC3)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOC(=O)CC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccc(C2COc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.
What is the InChIKey of 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is KHOSGHSPYRXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O3.C33H50O5P2.C24H32O.C20H32O3.C14H23OP.2CH4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-36-21-33(22-37-40)19-34-39(35-20-33)28-16-14-24(30(4,5)6)18-26(28)32(10,11)12;1-15-9-10-17(11-16(15)2)20-14-25-22-19(20)12-18(23(3,4)5)13-21(22)24(6,7)8;1-9-23-17(21)10-13(2)14-11-15(19(3,4)5)18(22)16(12-14)20(6,7)8;1-13(2,3)10-7-8-12(15-16)11(9-10)14(4,5)6;;/h27-28,37H,8-26H2,1-7H3;13-18H,19-22H2,1-12H3;9-13,20H,14H2,1-8H3;11-13,22H,9-10H2,1-8H3;7-9H,16H2,1-6H3;2*1H4.
What are the key properties of 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 2046.97 g/mol, XLogP of 37.11, 29 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-3-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran;3-(2,4-ditert-butylphenoxy)-9-(2,4-ditert-butylphenyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;(2,4-ditert-butylphenoxy)phosphane;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate;methane;octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 159136689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).