2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol

C34H46O2 — CID 101304331

IUPAC2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
SMILESCCc1cc(C(c2ccc(C(C)C)cc2)c2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H46O2/c1-11-22-17-26(31(35)28(19-22)33(5,6)7)30(25-15-13-24(14-16-25)21(3)4)27-18-23(12-2)20-29(32(27)36)34(8,9)10/h13-21,30,35-36H,11-12H2,1-10H3
InChIKeyOEAKNDFFBHKOSJ-UHFFFAOYSA-N
MW486.74 g/mol
LogP9.12
Rot. Bonds6

About 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol

2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol (PubChem CID 101304331) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
PubChem CID101304331
Molecular FormulaC34H46O2
Molecular Weight486.74 g/mol
Exact Mass486.35
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol
SMILESCCc1cc(C(c2ccc(C(C)C)cc2)c2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H46O2/c1-11-22-17-26(31(35)28(19-22)33(5,6)7)30(25-15-13-24(14-16-25)21(3)4)27-18-23(12-2)20-29(32(27)36)34(8,9)10/h13-21,30,35-36H,11-12H2,1-10H3
InChIKeyOEAKNDFFBHKOSJ-UHFFFAOYSA-N
XLogP9.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol 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-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730
methyl 2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117420063
2-tert-butyl-4-ethyl-6-sulfanylphenol
CID 15789894
2-[2-tert-butyl-6-[1-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)ethyl]-4-ethylphenyl]prop-2-enoic acid
CID 91477113
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(3,4-dimethylcyclohex-3-en-1-yl)methyl]-4-ethylphenol
CID 58803769
3-tert-butyl-5-ethyl-2-hydroxybenzonitrile
CID 117291785
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol (CID 101304331) is 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol is CCc1cc(C(c2ccc(C(C)C)cc2)c2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol?
The InChIKey is OEAKNDFFBHKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2/c1-11-22-17-26(31(35)28(19-22)33(5,6)7)30(25-15-13-24(14-16-25)21(3)4)27-18-23(12-2)20-29(32(27)36)34(8,9)10/h13-21,30,35-36H,11-12H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol?
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol has a molecular weight of 486.74 g/mol, XLogP of 9.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]-4-ethylphenol is sourced from PubChem (CID 101304331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).