2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol

C29H36O4 — CID 71335154

IUPAC2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol
SMILESCc1cc(OCCOCCOCCO)c(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C29H36O4/c1-22-20-29(33-19-18-32-17-16-31-15-14-30)28(24(3)26-12-8-5-9-13-26)21-27(22)23(2)25-10-6-4-7-11-25/h4-13,20-21,23-24,30H,14-19H2,1-3H3
InChIKeySLRAWEFHXZPCAP-UHFFFAOYSA-N
MW448.60 g/mol
LogP5.70
Rot. Bonds13

About 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol (PubChem CID 71335154) has the molecular formula C29H36O4 and a molecular weight of 448.60 g/mol. Its IUPAC name is 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol
PubChem CID71335154
Molecular FormulaC29H36O4
Molecular Weight448.60 g/mol
Exact Mass448.26
IUPAC Name2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol
SMILESCc1cc(OCCOCCOCCO)c(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C29H36O4/c1-22-20-29(33-19-18-32-17-16-31-15-14-30)28(24(3)26-12-8-5-9-13-26)21-27(22)23(2)25-10-6-4-7-11-25/h4-13,20-21,23-24,30H,14-19H2,1-3H3
InChIKeySLRAWEFHXZPCAP-UHFFFAOYSA-N
XLogP5.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.60
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol (CID 71335154) is 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol is Cc1cc(OCCOCCOCCO)c(C(C)c2ccccc2)cc1C(C)c1ccccc1.
What is the InChIKey of 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol?
The InChIKey is SLRAWEFHXZPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O4/c1-22-20-29(33-19-18-32-17-16-31-15-14-30)28(24(3)26-12-8-5-9-13-26)21-27(22)23(2)25-10-6-4-7-11-25/h4-13,20-21,23-24,30H,14-19H2,1-3H3.
What are the key properties of 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol has a molecular weight of 448.60 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-methyl-2,4-bis(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 71335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).