1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol

C14H21NO5 — CID 155589485

IUPAC1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol
SMILESCNC(O)C(O)C1OC(c2ccccc2)OCC1OC
InChIInChI=1S/C14H21NO5/c1-15-13(17)11(16)12-10(18-2)8-19-14(20-12)9-6-4-3-5-7-9/h3-7,10-17H,8H2,1-2H3
InChIKeyODVNELWQUUTZDB-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.01
Rot. Bonds5

About 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol

1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol (PubChem CID 155589485) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol
PubChem CID155589485
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol
SMILESCNC(O)C(O)C1OC(c2ccccc2)OCC1OC
InChIInChI=1S/C14H21NO5/c1-15-13(17)11(16)12-10(18-2)8-19-14(20-12)9-6-4-3-5-7-9/h3-7,10-17H,8H2,1-2H3
InChIKeyODVNELWQUUTZDB-UHFFFAOYSA-N
XLogP0.01
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-hydroxy-2-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]acetate
CID 165345559
7-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylic acid
CID 175908136
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)methanediol
CID 20701635
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-8-(methylamino)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 14967172
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
[(2S)-2-hydroxy-2-[(4R,5R)-5-(methoxymethoxy)-2-phenyl-1,3-dioxan-4-yl]ethyl] 3-oxooctanoate
CID 11729561
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(4R)-5-[(1S)-1-methoxy-2-oxoethoxy]-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 135041449

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol?
The IUPAC name of 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol (CID 155589485) is 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol.
What is the SMILES notation for 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol?
The canonical SMILES for 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol is CNC(O)C(O)C1OC(c2ccccc2)OCC1OC.
What is the InChIKey of 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol?
The InChIKey is ODVNELWQUUTZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-15-13(17)11(16)12-10(18-2)8-19-14(20-12)9-6-4-3-5-7-9/h3-7,10-17H,8H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol?
1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol has a molecular weight of 283.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenyl-1,3-dioxan-4-yl)-2-(methylamino)ethane-1,2-diol is sourced from PubChem (CID 155589485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).