4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol

C17H27NO2 — CID 667589

IUPAC4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-12(2)15-9-14(10-16(13(3)4)17(15)19)11-18-5-7-20-8-6-18/h9-10,12-13,19H,5-8,11H2,1-4H3
InChIKeyNNRAQSNXAOYDHG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.47
Rot. Bonds4

About 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol

4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol (PubChem CID 667589) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol
PubChem CID667589
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-12(2)15-9-14(10-16(13(3)4)17(15)19)11-18-5-7-20-8-6-18/h9-10,12-13,19H,5-8,11H2,1-4H3
InChIKeyNNRAQSNXAOYDHG-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol 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 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol (CID 667589) is 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol is CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1O.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol?
The InChIKey is NNRAQSNXAOYDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)15-9-14(10-16(13(3)4)17(15)19)11-18-5-7-20-8-6-18/h9-10,12-13,19H,5-8,11H2,1-4H3.
What are the key properties of 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol?
4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol has a molecular weight of 277.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 667589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).