1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol

C17H27NO3 — CID 42849335

IUPAC1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
SMILESCC(O)CN1CCOC(COc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO3/c1-13(2)15-4-6-16(7-5-15)21-12-17-11-18(8-9-20-17)10-14(3)19/h4-7,13-14,17,19H,8-12H2,1-3H3
InChIKeyOGTKAOWSWGTOII-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol

1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol (PubChem CID 42849335) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
PubChem CID42849335
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
SMILESCC(O)CN1CCOC(COc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO3/c1-13(2)15-4-6-16(7-5-15)21-12-17-11-18(8-9-20-17)10-14(3)19/h4-7,13-14,17,19H,8-12H2,1-3H3
InChIKeyOGTKAOWSWGTOII-UHFFFAOYSA-N
XLogP2.27
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
2-[(4-propan-2-ylphenoxy)methyl]-1,3-dioxolane
CID 82080263
(2R)-2-[(4-bromophenoxy)methyl]-4-propylmorpholine
CID 99979881
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol?
The IUPAC name of 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol (CID 42849335) is 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol is CC(O)CN1CCOC(COc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol?
The InChIKey is OGTKAOWSWGTOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)15-4-6-16(7-5-15)21-12-17-11-18(8-9-20-17)10-14(3)19/h4-7,13-14,17,19H,8-12H2,1-3H3.
What are the key properties of 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol?
1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 42849335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).