1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol

C18H29NO4 — CID 42849352

IUPAC1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC2CN(CC(O)COC(C)C)CCO2)cc1
InChIInChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-8-9-21-18(11-19)13-23-17-6-4-15(3)5-7-17/h4-7,14,16,18,20H,8-13H2,1-3H3
InChIKeyFSOIOIBHAZDIFP-UHFFFAOYSA-N
MW323.43 g/mol
LogP1.86
Rot. Bonds8

About 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol

1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 42849352) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID42849352
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC2CN(CC(O)COC(C)C)CCO2)cc1
InChIInChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-8-9-21-18(11-19)13-23-17-6-4-15(3)5-7-17/h4-7,14,16,18,20H,8-13H2,1-3H3
InChIKeyFSOIOIBHAZDIFP-UHFFFAOYSA-N
XLogP1.86
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
CID 42849335
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
CID 111105465
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
CID 42849357
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-[4-[2-hydroxy-3-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propoxy]phenyl]ethanone
CID 138959906
1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
CID 164906171

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol (CID 42849352) is 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol is Cc1ccc(OCC2CN(CC(O)COC(C)C)CCO2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FSOIOIBHAZDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-8-9-21-18(11-19)13-23-17-6-4-15(3)5-7-17/h4-7,14,16,18,20H,8-13H2,1-3H3.
What are the key properties of 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 323.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 42849352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).