[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

C30H43NO4 — CID 67845126

IUPAC[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCc1cccc(C(C)(C)C)c1OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C30H43NO4/c1-21-13-12-16-25(28(2,3)4)26(21)34-20-23(32)19-31-29(5,6)17-24(18-30(31,7)8)35-27(33)22-14-10-9-11-15-22/h9-16,23-24,32H,17-20H2,1-8H3
InChIKeyWYTVINPBFRKZDQ-UHFFFAOYSA-N
MW481.68 g/mol
LogP5.91
Rot. Bonds7

About [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate

[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (PubChem CID 67845126) has the molecular formula C30H43NO4 and a molecular weight of 481.68 g/mol. Its IUPAC name is [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
PubChem CID67845126
Molecular FormulaC30H43NO4
Molecular Weight481.68 g/mol
Exact Mass481.32
IUPAC Name[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
SMILESCc1cccc(C(C)(C)C)c1OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C
InChIInChI=1S/C30H43NO4/c1-21-13-12-16-25(28(2,3)4)26(21)34-20-23(32)19-31-29(5,6)17-24(18-30(31,7)8)35-27(33)22-14-10-9-11-15-22/h9-16,23-24,32H,17-20H2,1-8H3
InChIKeyWYTVINPBFRKZDQ-UHFFFAOYSA-N
XLogP5.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate with MolForge

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

Launch Full Analysis

Related Compounds

CID 2856734
CID 2856734
CID 2856987
CID 2856987
CID 10022009
CID 10022009
CID 11725758
CID 11725758
CID 2950589
CID 2950589
CID 2967431
CID 2967431
CID 2968485
CID 2968485
CID 2975104
CID 2975104
CID 2999148
CID 2999148
CID 9981658
CID 9981658
CID 10249395
CID 10249395
CID 10381795
CID 10381795

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The IUPAC name of [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate (CID 67845126) is [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate.
What is the SMILES notation for [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The canonical SMILES for [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is Cc1cccc(C(C)(C)C)c1OCC(O)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C.
What is the InChIKey of [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
The InChIKey is WYTVINPBFRKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO4/c1-21-13-12-16-25(28(2,3)4)26(21)34-20-23(32)19-31-29(5,6)17-24(18-30(31,7)8)35-27(33)22-14-10-9-11-15-22/h9-16,23-24,32H,17-20H2,1-8H3.
What are the key properties of [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate?
[1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate has a molecular weight of 481.68 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-tert-butyl-6-methylphenoxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate is sourced from PubChem (CID 67845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).