[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C16H25NO4 — CID 114779927

IUPAC[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCOc1ccc(OC)c(CN2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C16H25NO4/c1-16(2)11-17(9-14(10-18)21-16)8-12-7-13(19-3)5-6-15(12)20-4/h5-7,14,18H,8-11H2,1-4H3
InChIKeyYUMMHVGUZALQSM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.68
Rot. Bonds5

About [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779927) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779927
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCOc1ccc(OC)c(CN2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C16H25NO4/c1-16(2)11-17(9-14(10-18)21-16)8-12-7-13(19-3)5-6-15(12)20-4/h5-7,14,18H,8-11H2,1-4H3
InChIKeyYUMMHVGUZALQSM-UHFFFAOYSA-N
XLogP1.68
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779927) is [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is COc1ccc(OC)c(CN2CC(CO)OC(C)(C)C2)c1.
What is the InChIKey of [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is YUMMHVGUZALQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2)11-17(9-14(10-18)21-16)8-12-7-13(19-3)5-6-15(12)20-4/h5-7,14,18H,8-11H2,1-4H3.
What are the key properties of [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 295.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).