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

C18H29NO4 — CID 42849347

IUPAC1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1cccc(OCC2CN(CC(O)COC(C)C)CCO2)c1
InChIInChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-7-8-21-18(11-19)13-23-17-6-4-5-15(3)9-17/h4-6,9,14,16,18,20H,7-8,10-13H2,1-3H3
InChIKeyYSRMUGZPMNBGMW-UHFFFAOYSA-N
MW323.43 g/mol
LogP1.86
Rot. Bonds8

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

1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 42849347) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID42849347
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
SMILESCc1cccc(OCC2CN(CC(O)COC(C)C)CCO2)c1
InChIInChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-7-8-21-18(11-19)13-23-17-6-4-5-15(3)9-17/h4-6,9,14,16,18,20H,7-8,10-13H2,1-3H3
InChIKeyYSRMUGZPMNBGMW-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-[(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
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
CID 42849357
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
(2S)-1-(3-methylphenoxy)-3-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-2-ol
CID 129340153
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
1-[2-[(4-propan-2-ylphenoxy)methyl]morpholin-4-yl]propan-2-ol
CID 42849335
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol (CID 42849347) is 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol is Cc1cccc(OCC2CN(CC(O)COC(C)C)CCO2)c1.
What is the InChIKey of 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is YSRMUGZPMNBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-14(2)22-12-16(20)10-19-7-8-21-18(11-19)13-23-17-6-4-5-15(3)9-17/h4-6,9,14,16,18,20H,7-8,10-13H2,1-3H3.
What are the key properties of 1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol?
1-[2-[(3-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-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 42849347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).