[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol

C14H19NO3 — CID 134257266

IUPAC[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol
SMILES[H]/N=C1\COC(COCc2ccccc2)CC1CO
InChIInChI=1S/C14H19NO3/c15-14-10-18-13(6-12(14)7-16)9-17-8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/b15-14+
InChIKeyYOKQSZRYKFHRLR-CCEZHUSRSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds5

About [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol

[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol (PubChem CID 134257266) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol
PubChem CID134257266
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol
SMILES[H]/N=C1\COC(COCc2ccccc2)CC1CO
InChIInChI=1S/C14H19NO3/c15-14-10-18-13(6-12(14)7-16)9-17-8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/b15-14+
InChIKeyYOKQSZRYKFHRLR-CCEZHUSRSA-N
XLogP1.62
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
4,5-dimethyl-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 154712027
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 130750045
(2S)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 46862703
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
(3S)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 90220044
(3S,3aR,5R)-3-methyl-5-(phenylmethoxymethyl)-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole
CID 86701084
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
CID 100952584

Frequently Asked Questions

What is the IUPAC name of [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol?
The IUPAC name of [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol (CID 134257266) is [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol.
What is the SMILES notation for [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol?
The canonical SMILES for [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol is [H]/N=C1\COC(COCc2ccccc2)CC1CO.
What is the InChIKey of [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol?
The InChIKey is YOKQSZRYKFHRLR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19NO3/c15-14-10-18-13(6-12(14)7-16)9-17-8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/b15-14+.
What are the key properties of [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol?
[5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol has a molecular weight of 249.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-imino-2-(phenylmethoxymethyl)oxan-4-yl]methanol is sourced from PubChem (CID 134257266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).