2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol

C31H54O3 — CID 59347262

IUPAC2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol
SMILESCCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OCCO)c(C)c(C)c2O1
InChIInChI=1S/C31H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31(5)22-20-28-27(4)29(33-24-23-32)25(2)26(3)30(28)34-31/h32H,6-24H2,1-5H3
InChIKeyZBDOKFQFZILUEC-UHFFFAOYSA-N
MW474.77 g/mol
LogP8.94
Rot. Bonds18

About 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol

2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol (PubChem CID 59347262) has the molecular formula C31H54O3 and a molecular weight of 474.77 g/mol. Its IUPAC name is 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol
PubChem CID59347262
Molecular FormulaC31H54O3
Molecular Weight474.77 g/mol
Exact Mass474.41
IUPAC Name2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol
SMILESCCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OCCO)c(C)c(C)c2O1
InChIInChI=1S/C31H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31(5)22-20-28-27(4)29(33-24-23-32)25(2)26(3)30(28)34-31/h32H,6-24H2,1-5H3
InChIKeyZBDOKFQFZILUEC-UHFFFAOYSA-N
XLogP8.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol?
The IUPAC name of 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol (CID 59347262) is 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol.
What is the SMILES notation for 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol?
The canonical SMILES for 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol is CCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OCCO)c(C)c(C)c2O1.
What is the InChIKey of 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol?
The InChIKey is ZBDOKFQFZILUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31(5)22-20-28-27(4)29(33-24-23-32)25(2)26(3)30(28)34-31/h32H,6-24H2,1-5H3.
What are the key properties of 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol?
2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol has a molecular weight of 474.77 g/mol, XLogP of 8.94, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol is sourced from PubChem (CID 59347262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).