2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane

C26H40O2 — CID 142998907

IUPAC2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
SMILESCC.CCCC(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C24H34O2.C2H6/c1-8-9-17(4)20-12-15(2)10-18(22(20)25)14-19-11-16(3)13-21(23(19)26)24(5,6)7;1-2/h10-13,17,25-26H,8-9,14H2,1-7H3;1-2H3
InChIKeyABBQWWWAQXXSGC-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.53
Rot. Bonds5

About 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane

2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane (PubChem CID 142998907) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane.

Molecular Properties

Compound Name2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
PubChem CID142998907
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
SMILESCC.CCCC(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C24H34O2.C2H6/c1-8-9-17(4)20-12-15(2)10-18(22(20)25)14-19-11-16(3)13-21(23(19)26)24(5,6)7;1-2/h10-13,17,25-26H,8-9,14H2,1-7H3;1-2H3
InChIKeyABBQWWWAQXXSGC-UHFFFAOYSA-N
XLogP7.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-6-[(4-tert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19706004
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-dimethylphenol
CID 139625941
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane?
The IUPAC name of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane (CID 142998907) is 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane.
What is the SMILES notation for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane?
The canonical SMILES for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane is CC.CCCC(C)c1cc(C)cc(Cc2cc(C)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane?
The InChIKey is ABBQWWWAQXXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2.C2H6/c1-8-9-17(4)20-12-15(2)10-18(22(20)25)14-19-11-16(3)13-21(23(19)26)24(5,6)7;1-2/h10-13,17,25-26H,8-9,14H2,1-7H3;1-2H3.
What are the key properties of 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane?
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane has a molecular weight of 384.60 g/mol, XLogP of 7.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane is sourced from PubChem (CID 142998907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).