4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol

C16H25NO2 — CID 14553930

IUPAC4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol
SMILESCC(Cc1ccc(O)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO2/c1-12(8-15-4-6-16(18)7-5-15)9-17-10-13(2)19-14(3)11-17/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyPGNBQXVFNFBKBZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds4

About 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol

4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol (PubChem CID 14553930) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol.

Molecular Properties

Compound Name4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol
PubChem CID14553930
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol
SMILESCC(Cc1ccc(O)cc1)CN1CC(C)OC(C)C1
InChIInChI=1S/C16H25NO2/c1-12(8-15-4-6-16(18)7-5-15)9-17-10-13(2)19-14(3)11-17/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyPGNBQXVFNFBKBZ-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol?
The IUPAC name of 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol (CID 14553930) is 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol.
What is the SMILES notation for 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol?
The canonical SMILES for 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol is CC(Cc1ccc(O)cc1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol?
The InChIKey is PGNBQXVFNFBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(8-15-4-6-16(18)7-5-15)9-17-10-13(2)19-14(3)11-17/h4-7,12-14,18H,8-11H2,1-3H3.
What are the key properties of 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol?
4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenol is sourced from PubChem (CID 14553930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).