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

C30H46O2 — CID 19003417

IUPAC4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(CCCCCCc2cc(C)c(O)c(C(C)(C)CC)c2)cc(C)c1O
InChIInChI=1S/C30H46O2/c1-9-29(5,6)25-19-23(17-21(3)27(25)31)15-13-11-12-14-16-24-18-22(4)28(32)26(20-24)30(7,8)10-2/h17-20,31-32H,9-16H2,1-8H3
InChIKeyFFUAAUAJUUWBRZ-UHFFFAOYSA-N
MW438.70 g/mol
LogP8.44
Rot. Bonds11

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

4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol (PubChem CID 19003417) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
PubChem CID19003417
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Name4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(CCCCCCc2cc(C)c(O)c(C(C)(C)CC)c2)cc(C)c1O
InChIInChI=1S/C30H46O2/c1-9-29(5,6)25-19-23(17-21(3)27(25)31)15-13-11-12-14-16-24-18-22(4)28(32)26(20-24)30(7,8)10-2/h17-20,31-32H,9-16H2,1-8H3
InChIKeyFFUAAUAJUUWBRZ-UHFFFAOYSA-N
XLogP8.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol with MolForge

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Related Compounds

2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
4-[3-[4-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]propyl]-2,6-bis(2-methylbutan-2-yl)phenol
CID 54117859
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
2,6-dimethyl-4-pentylphenol
CID 22625507
4-[3-[3,5-bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-2,4,6-trimethylphenyl]propyl]-2-tert-butyl-6-methylphenol
CID 139646403
2-tert-butyl-6-methyl-4-(3-octadecylsulfanylpropyl)phenol
CID 21437807
2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
CID 154329920
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol?
The IUPAC name of 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol (CID 19003417) is 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(CCCCCCc2cc(C)c(O)c(C(C)(C)CC)c2)cc(C)c1O.
What is the InChIKey of 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol?
The InChIKey is FFUAAUAJUUWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2/c1-9-29(5,6)25-19-23(17-21(3)27(25)31)15-13-11-12-14-16-24-18-22(4)28(32)26(20-24)30(7,8)10-2/h17-20,31-32H,9-16H2,1-8H3.
What are the key properties of 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol?
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol has a molecular weight of 438.70 g/mol, XLogP of 8.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 19003417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).