2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol

C26H46O2 — CID 143216200

IUPAC2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(C)(C)CO)c(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C26H46O2/c1-22(2,3)16-24(7,8)19-13-14-21(28-26(11,12)18-27)20(15-19)25(9,10)17-23(4,5)6/h13-15,27H,16-18H2,1-12H3
InChIKeyIYYCTOYNPPQOAR-UHFFFAOYSA-N
MW390.65 g/mol
LogP7.26
Rot. Bonds7

About 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol

2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol (PubChem CID 143216200) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol
PubChem CID143216200
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(C)(C)CO)c(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C26H46O2/c1-22(2,3)16-24(7,8)19-13-14-21(28-26(11,12)18-27)20(15-19)25(9,10)17-23(4,5)6/h13-15,27H,16-18H2,1-12H3
InChIKeyIYYCTOYNPPQOAR-UHFFFAOYSA-N
XLogP7.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
2-methyl-1-octoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 20589144
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
4-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]butan-1-amine
CID 117471026
trihydroxy-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-λ5-phosphane
CID 67902821
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol (CID 143216200) is 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol is CC(C)(C)CC(C)(C)c1ccc(OC(C)(C)CO)c(C(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol?
The InChIKey is IYYCTOYNPPQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-22(2,3)16-24(7,8)19-13-14-21(28-26(11,12)18-27)20(15-19)25(9,10)17-23(4,5)6/h13-15,27H,16-18H2,1-12H3.
What are the key properties of 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol?
2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol has a molecular weight of 390.65 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2,4,4-trimethylpentan-2-yl)phenoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 143216200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).