2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol

C33H52O2 — CID 22325373

IUPAC2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)CCCCCC)c2O)c1O
InChIInChI=1S/C33H52O2/c1-9-11-13-15-17-32(5,6)28-21-24(3)19-26(30(28)34)23-27-20-25(4)22-29(31(27)35)33(7,8)18-16-14-12-10-2/h19-22,34-35H,9-18,23H2,1-8H3
InChIKeyUNZKUNIFJFGMLW-UHFFFAOYSA-N
MW480.78 g/mol
LogP9.80
Rot. Bonds14

About 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol

2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol (PubChem CID 22325373) has the molecular formula C33H52O2 and a molecular weight of 480.78 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol
PubChem CID22325373
Molecular FormulaC33H52O2
Molecular Weight480.78 g/mol
Exact Mass480.40
IUPAC Name2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)CCCCCC)c2O)c1O
InChIInChI=1S/C33H52O2/c1-9-11-13-15-17-32(5,6)28-21-24(3)19-26(30(28)34)23-27-20-25(4)22-29(31(27)35)33(7,8)18-16-14-12-10-2/h19-22,34-35H,9-18,23H2,1-8H3
InChIKeyUNZKUNIFJFGMLW-UHFFFAOYSA-N
XLogP9.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
5-ethyl-4-[[2-ethyl-4-hydroxy-5-(2-methylundecan-2-yl)phenyl]methyl]-2-(2-methylundecan-2-yl)phenol
CID 21499187
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
CID 154329920
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
5,11,17,23,29,35,41,47-octakis(2-methyltridecan-2-yl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
CID 100978630
2-hydroxy-3,5-bis(2-methyloctan-2-yl)benzoic acid
CID 22345991

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol (CID 22325373) is 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)CCCCCC)c2O)c1O.
What is the InChIKey of 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol?
The InChIKey is UNZKUNIFJFGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52O2/c1-9-11-13-15-17-32(5,6)28-21-24(3)19-26(30(28)34)23-27-20-25(4)22-29(31(27)35)33(7,8)18-16-14-12-10-2/h19-22,34-35H,9-18,23H2,1-8H3.
What are the key properties of 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol?
2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol has a molecular weight of 480.78 g/mol, XLogP of 9.80, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 22325373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).