4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane

C28H44O — CID 143504508

IUPAC4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane
SMILESCC.CC(C)Cc1cc(Cc2cc(C(C)C)cc(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C26H38O.C2H6/c1-16(2)9-24-13-21(14-25(19(7)8)26(24)27)10-20-11-22(17(3)4)15-23(12-20)18(5)6;1-2/h11-19,27H,9-10H2,1-8H3;1-2H3
InChIKeyQYLSATCEFBLYNS-UHFFFAOYSA-N
MW396.66 g/mol
LogP8.58
Rot. Bonds7

About 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane

4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane (PubChem CID 143504508) has the molecular formula C28H44O and a molecular weight of 396.66 g/mol. Its IUPAC name is 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane.

Molecular Properties

Compound Name4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane
PubChem CID143504508
Molecular FormulaC28H44O
Molecular Weight396.66 g/mol
Exact Mass396.34
IUPAC Name4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane
SMILESCC.CC(C)Cc1cc(Cc2cc(C(C)C)cc(C(C)C)c2)cc(C(C)C)c1O
InChIInChI=1S/C26H38O.C2H6/c1-16(2)9-24-13-21(14-25(19(7)8)26(24)27)10-20-11-22(17(3)4)15-23(12-20)18(5)6;1-2/h11-19,27H,9-10H2,1-8H3;1-2H3
InChIKeyQYLSATCEFBLYNS-UHFFFAOYSA-N
XLogP8.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane?
The IUPAC name of 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane (CID 143504508) is 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane.
What is the SMILES notation for 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane?
The canonical SMILES for 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane is CC.CC(C)Cc1cc(Cc2cc(C(C)C)cc(C(C)C)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane?
The InChIKey is QYLSATCEFBLYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O.C2H6/c1-16(2)9-24-13-21(14-25(19(7)8)26(24)27)10-20-11-22(17(3)4)15-23(12-20)18(5)6;1-2/h11-19,27H,9-10H2,1-8H3;1-2H3.
What are the key properties of 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane?
4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane has a molecular weight of 396.66 g/mol, XLogP of 8.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-di(propan-2-yl)phenyl]methyl]-2-(2-methylpropyl)-6-propan-2-ylphenol;ethane is sourced from PubChem (CID 143504508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).