4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol

C24H38O5 — CID 67605830

IUPAC4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol
SMILESCOCCOCCOCCOCC1CC2CC1CC2c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C24H38O5/c1-17(2)22-14-18(4-5-24(22)25)23-15-19-12-20(23)13-21(19)16-29-11-10-28-9-8-27-7-6-26-3/h4-5,14,17,19-21,23,25H,6-13,15-16H2,1-3H3
InChIKeyACVMCHYBHQWHJV-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.34
Rot. Bonds13

About 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol

4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol (PubChem CID 67605830) has the molecular formula C24H38O5 and a molecular weight of 406.56 g/mol. Its IUPAC name is 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol
PubChem CID67605830
Molecular FormulaC24H38O5
Molecular Weight406.56 g/mol
Exact Mass406.27
IUPAC Name4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol
SMILESCOCCOCCOCCOCC1CC2CC1CC2c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C24H38O5/c1-17(2)22-14-18(4-5-24(22)25)23-15-19-12-20(23)13-21(19)16-29-11-10-28-9-8-27-7-6-26-3/h4-5,14,17,19-21,23,25H,6-13,15-16H2,1-3H3
InChIKeyACVMCHYBHQWHJV-UHFFFAOYSA-N
XLogP4.34
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol?
The IUPAC name of 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol (CID 67605830) is 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol.
What is the SMILES notation for 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol?
The canonical SMILES for 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol is COCCOCCOCCOCC1CC2CC1CC2c1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol?
The InChIKey is ACVMCHYBHQWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O5/c1-17(2)22-14-18(4-5-24(22)25)23-15-19-12-20(23)13-21(19)16-29-11-10-28-9-8-27-7-6-26-3/h4-5,14,17,19-21,23,25H,6-13,15-16H2,1-3H3.
What are the key properties of 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol?
4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol has a molecular weight of 406.56 g/mol, XLogP of 4.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-propan-2-ylphenol is sourced from PubChem (CID 67605830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).