2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol

C19H31NO2 — CID 88670250

IUPAC2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
SMILESCC(C)(C)c1cc(CC2CNCCO2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-18(2,3)15-10-13(9-14-12-20-7-8-22-14)11-16(17(15)21)19(4,5)6/h10-11,14,20-21H,7-9,12H2,1-6H3
InChIKeyUDJYBMILKMTMQN-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.52
Rot. Bonds2

About 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol

2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol (PubChem CID 88670250) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
PubChem CID88670250
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol
SMILESCC(C)(C)c1cc(CC2CNCCO2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H31NO2/c1-18(2,3)15-10-13(9-14-12-20-7-8-22-14)11-16(17(15)21)19(4,5)6/h10-11,14,20-21H,7-9,12H2,1-6H3
InChIKeyUDJYBMILKMTMQN-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2,6-ditert-butyl-4-[(3-methoxyoxetan-2-yl)methyl]phenol
CID 155479617
tert-butyl N-amino-N-[4-(morpholin-2-ylmethyl)phenyl]carbamate
CID 175189044
4-methoxy-2-(morpholin-2-ylmethyl)naphthalen-1-ol
CID 70584076
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol (CID 88670250) is 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol is CC(C)(C)c1cc(CC2CNCCO2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol?
The InChIKey is UDJYBMILKMTMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-18(2,3)15-10-13(9-14-12-20-7-8-22-14)11-16(17(15)21)19(4,5)6/h10-11,14,20-21H,7-9,12H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol?
2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol has a molecular weight of 305.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(morpholin-2-ylmethyl)phenol is sourced from PubChem (CID 88670250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).