2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde

C18H19NO5 — CID 144715609

IUPAC2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
SMILESCOc1ncccc1C1COC[C@@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C18H19NO5/c1-22-18-13(4-3-7-19-18)15-11-23-9-12(15)10-24-17-6-2-5-16(21)14(17)8-20/h2-8,12,15,21H,9-11H2,1H3/t12-,15?/m1/s1
InChIKeyDAGAHMKVYAEJAE-KEKZHRQWSA-N
MW329.35 g/mol
LogP2.42
Rot. Bonds6

About 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde

2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde (PubChem CID 144715609) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
PubChem CID144715609
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
SMILESCOc1ncccc1C1COC[C@@H]1COc1cccc(O)c1C=O
InChIInChI=1S/C18H19NO5/c1-22-18-13(4-3-7-19-18)15-11-23-9-12(15)10-24-17-6-2-5-16(21)14(17)8-20/h2-8,12,15,21H,9-11H2,1H3/t12-,15?/m1/s1
InChIKeyDAGAHMKVYAEJAE-KEKZHRQWSA-N
XLogP2.42
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-[[4-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methoxy]benzaldehyde
CID 86295210
2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 139562123
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434047
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
2-hydroxy-6-[[(1S,2S,4R)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methoxy]benzaldehyde
CID 118072799
2-hydroxy-6-[[1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 118953502
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde (CID 144715609) is 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde is COc1ncccc1C1COC[C@@H]1COc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde?
The InChIKey is DAGAHMKVYAEJAE-KEKZHRQWSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-18-13(4-3-7-19-18)15-11-23-9-12(15)10-24-17-6-2-5-16(21)14(17)8-20/h2-8,12,15,21H,9-11H2,1H3/t12-,15?/m1/s1.
What are the key properties of 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde has a molecular weight of 329.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde is sourced from PubChem (CID 144715609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).