2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol

C16H25NO3 — CID 82978311

IUPAC2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCOc1cc(C(C)N2CC(C)OC(C)(C)C2)ccc1O
InChIInChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)13-6-7-14(18)15(8-13)19-5/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyMHXPSAZXCAJEAN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.96
Rot. Bonds3

About 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol

2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (PubChem CID 82978311) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
PubChem CID82978311
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCOc1cc(C(C)N2CC(C)OC(C)(C)C2)ccc1O
InChIInChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)13-6-7-14(18)15(8-13)19-5/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyMHXPSAZXCAJEAN-UHFFFAOYSA-N
XLogP2.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Reticuline
CID 439653
Vanitiolide
CID 72146
Erysodine
CID 169017
Laudanine
CID 92732
1-((3-Hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 10233
7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 46695
4'-O-Methylnorbelladine
CID 253994
(-)-Reticuline
CID 440586
dl-Codamine
CID 89421
N-Methylcoclaurine
CID 440584
(S)-Laudanine
CID 821396
Coreximine
CID 7037179

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (CID 82978311) is 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is COc1cc(C(C)N2CC(C)OC(C)(C)C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The InChIKey is MHXPSAZXCAJEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)13-6-7-14(18)15(8-13)19-5/h6-8,11-12,18H,9-10H2,1-5H3.
What are the key properties of 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82978311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).