2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol

C26H44O — CID 58223850

IUPAC2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C26H44O/c1-18(2)13-19-14-20(25(9,10)16-23(3,4)5)15-21(22(19)27)26(11,12)17-24(6,7)8/h13-15,27H,16-17H2,1-12H3
InChIKeyQCPLBZZGDRVXDX-UHFFFAOYSA-N
MW372.64 g/mol
LogP8.24
Rot. Bonds5

About 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol

2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 58223850) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID58223850
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C26H44O/c1-18(2)13-19-14-20(25(9,10)16-23(3,4)5)15-21(22(19)27)26(11,12)17-24(6,7)8/h13-15,27H,16-17H2,1-12H3
InChIKeyQCPLBZZGDRVXDX-UHFFFAOYSA-N
XLogP8.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 87580532
2-[[2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-6-methanidyl-4-(2,4,4-trimethylpentan-2-yl)phenol;yttrium
CID 157282834
1-ethenyl-2-methoxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 143892366
2-chloro-6-[(E)-hydroxyiminomethyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 135441932
1,3-ditert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 19017896
4-[1-[4-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)phenyl]ethyl]-2,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22769774
2-[5-(trifluoromethyl)benzotriazol-2-yl]-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol
CID 22506032
3-hydroxy-5,7-bis(2,4,4-trimethylpentan-2-yl)naphthalene-2-carboxylic acid
CID 19606929
4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)-6-(2-methylprop-1-enyl)phenol
CID 58223831
[2,4-ditert-butyl-6-(2-methylprop-1-enyl)phenyl] acetate
CID 59708783
2-amino-6-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 51983771
3-propan-2-yl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 141172794

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol (CID 58223850) is 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol is CC(C)=Cc1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1O.
What is the InChIKey of 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is QCPLBZZGDRVXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-18(2)13-19-14-20(25(9,10)16-23(3,4)5)15-21(22(19)27)26(11,12)17-24(6,7)8/h13-15,27H,16-17H2,1-12H3.
What are the key properties of 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol?
2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 372.64 g/mol, XLogP of 8.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-4,6-bis(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 58223850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).