2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane

C103H154O14 — CID 160550181

IUPAC2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane
SMILESC.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H46O2.4C18H26O3.CH4/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;4*1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7;/h14-18,31-32H,1-13H3;4*9-10,19H,1,8H2,2-7H3,(H,20,21);1H4
InChIKeyQXYNXFJYENVMSS-UHFFFAOYSA-N
MW1616.35 g/mol
LogP25.76
Rot. Bonds14

About 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane

2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane (PubChem CID 160550181) has the molecular formula C103H154O14 and a molecular weight of 1616.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane
PubChem CID160550181
Molecular FormulaC103H154O14
Molecular Weight1616.35 g/mol
Exact Mass1615.13
IUPAC Name2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane
SMILESC.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H46O2.4C18H26O3.CH4/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;4*1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7;/h14-18,31-32H,1-13H3;4*9-10,19H,1,8H2,2-7H3,(H,20,21);1H4
InChIKeyQXYNXFJYENVMSS-UHFFFAOYSA-N
XLogP25.76
TPSA270.58 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.35
LogP ≤ 525.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane with MolForge

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Related Compounds

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoate;methane
CID 18542035
2-[2-tert-butyl-6-[1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)ethyl]-4-ethylphenyl]prop-2-enoic acid
CID 91477113
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 87833588
[2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenyl] 2-methylprop-2-enoate
CID 21290800
[2-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]-4,6-bis(2,2-dimethylpropyl)phenyl] prop-2-enoate
CID 142655058
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate
CID 18974158
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
2,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]hexanedioic acid
CID 87131736

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane?
The IUPAC name of 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane (CID 160550181) is 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane is C.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O.CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane?
The InChIKey is QXYNXFJYENVMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2.4C18H26O3.CH4/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13;4*1-11(16(20)21)8-12-9-13(17(2,3)4)15(19)14(10-12)18(5,6)7;/h14-18,31-32H,1-13H3;4*9-10,19H,1,8H2,2-7H3,(H,20,21);1H4.
What are the key properties of 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane?
2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane has a molecular weight of 1616.35 g/mol, XLogP of 25.76, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;tetrakis(2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enoic acid);methane is sourced from PubChem (CID 160550181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).