2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol

C34H54O4 — CID 21257903

IUPAC2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol
SMILESCC(C)CC(C)(c1cc(C(C)C)c(OCCO)c(C(C)C)c1)c1cc(C(C)C)c(OCCO)c(C(C)C)c1
InChIInChI=1S/C34H54O4/c1-21(2)20-34(11,26-16-28(22(3)4)32(37-14-12-35)29(17-26)23(5)6)27-18-30(24(7)8)33(38-15-13-36)31(19-27)25(9)10/h16-19,21-25,35-36H,12-15,20H2,1-11H3
InChIKeyYVTBUYQIBIYTQV-UHFFFAOYSA-N
MW526.80 g/mol
LogP8.27
Rot. Bonds14

About 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol

2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol (PubChem CID 21257903) has the molecular formula C34H54O4 and a molecular weight of 526.80 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol
PubChem CID21257903
Molecular FormulaC34H54O4
Molecular Weight526.80 g/mol
Exact Mass526.40
IUPAC Name2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol
SMILESCC(C)CC(C)(c1cc(C(C)C)c(OCCO)c(C(C)C)c1)c1cc(C(C)C)c(OCCO)c(C(C)C)c1
InChIInChI=1S/C34H54O4/c1-21(2)20-34(11,26-16-28(22(3)4)32(37-14-12-35)29(17-26)23(5)6)27-18-30(24(7)8)33(38-15-13-36)31(19-27)25(9)10/h16-19,21-25,35-36H,12-15,20H2,1-11H3
InChIKeyYVTBUYQIBIYTQV-UHFFFAOYSA-N
XLogP8.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.80
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol (CID 21257903) is 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol is CC(C)CC(C)(c1cc(C(C)C)c(OCCO)c(C(C)C)c1)c1cc(C(C)C)c(OCCO)c(C(C)C)c1.
What is the InChIKey of 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol?
The InChIKey is YVTBUYQIBIYTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54O4/c1-21(2)20-34(11,26-16-28(22(3)4)32(37-14-12-35)29(17-26)23(5)6)27-18-30(24(7)8)33(38-15-13-36)31(19-27)25(9)10/h16-19,21-25,35-36H,12-15,20H2,1-11H3.
What are the key properties of 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol?
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol has a molecular weight of 526.80 g/mol, XLogP of 8.27, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(propan-2-yl)phenyl]-4-methylpentan-2-yl]-2,6-di(propan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 21257903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).