[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

C17H27NO3 — CID 114779812

IUPAC[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1ccc(C)c(OCCN2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-13-5-6-14(2)16(9-13)20-8-7-18-10-15(11-19)21-17(3,4)12-18/h5-6,9,15,19H,7-8,10-12H2,1-4H3
InChIKeyPIWGLGYTCMCFNQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.15
Rot. Bonds5

About [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779812) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779812
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1ccc(C)c(OCCN2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-13-5-6-14(2)16(9-13)20-8-7-18-10-15(11-19)21-17(3,4)12-18/h5-6,9,15,19H,7-8,10-12H2,1-4H3
InChIKeyPIWGLGYTCMCFNQ-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
[4-[2-(2-bromo-4-chlorophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779623
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
[4-[3-amino-3-(4-methylphenyl)propyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780269
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779812) is [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is Cc1ccc(C)c(OCCN2CC(CO)OC(C)(C)C2)c1.
What is the InChIKey of [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is PIWGLGYTCMCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-5-6-14(2)16(9-13)20-8-7-18-10-15(11-19)21-17(3,4)12-18/h5-6,9,15,19H,7-8,10-12H2,1-4H3.
What are the key properties of [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).