4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol

C35H56O2 — CID 68581607

IUPAC4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol
SMILESCCC(c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1)c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1
InChIInChI=1S/C35H56O2/c1-14-29(23-15-25(19-32(2,3)4)30(36)26(16-23)20-33(5,6)7)24-17-27(21-34(8,9)10)31(37)28(18-24)22-35(11,12)13/h15-18,29,36-37H,14,19-22H2,1-13H3
InChIKeyYUOQKEHOSQWODP-UHFFFAOYSA-N
MW508.83 g/mol
LogP9.99
Rot. Bonds7

About 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol

4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol (PubChem CID 68581607) has the molecular formula C35H56O2 and a molecular weight of 508.83 g/mol. Its IUPAC name is 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol
PubChem CID68581607
Molecular FormulaC35H56O2
Molecular Weight508.83 g/mol
Exact Mass508.43
IUPAC Name4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol
SMILESCCC(c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1)c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1
InChIInChI=1S/C35H56O2/c1-14-29(23-15-25(19-32(2,3)4)30(36)26(16-23)20-33(5,6)7)24-17-27(21-34(8,9)10)31(37)28(18-24)22-35(11,12)13/h15-18,29,36-37H,14,19-22H2,1-13H3
InChIKeyYUOQKEHOSQWODP-UHFFFAOYSA-N
XLogP9.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol?
The IUPAC name of 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol (CID 68581607) is 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol?
The canonical SMILES for 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol is CCC(c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1)c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1.
What is the InChIKey of 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol?
The InChIKey is YUOQKEHOSQWODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56O2/c1-14-29(23-15-25(19-32(2,3)4)30(36)26(16-23)20-33(5,6)7)24-17-27(21-34(8,9)10)31(37)28(18-24)22-35(11,12)13/h15-18,29,36-37H,14,19-22H2,1-13H3.
What are the key properties of 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol?
4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol has a molecular weight of 508.83 g/mol, XLogP of 9.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis(2,2-dimethylpropyl)-4-hydroxyphenyl]propyl]-2,6-bis(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 68581607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).