[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol

C13H15NO2 — CID 142201396

IUPAC[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol
SMILESCOc1ccccc1C1C=C(CO)C=CN1
InChIInChI=1S/C13H15NO2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14-12/h2-8,12,14-15H,9H2,1H3
InChIKeySBSVHNHQBXJNTE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds3

About [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol

[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol (PubChem CID 142201396) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol
PubChem CID142201396
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol
SMILESCOc1ccccc1C1C=C(CO)C=CN1
InChIInChI=1S/C13H15NO2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14-12/h2-8,12,14-15H,9H2,1H3
InChIKeySBSVHNHQBXJNTE-UHFFFAOYSA-N
XLogP1.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-5-(2-methoxyphenyl)-2,5-dihydro-1,2-oxazole
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[5-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol?
The IUPAC name of [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol (CID 142201396) is [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol?
The canonical SMILES for [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol is COc1ccccc1C1C=C(CO)C=CN1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol?
The InChIKey is SBSVHNHQBXJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14-12/h2-8,12,14-15H,9H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol?
[2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,2-dihydropyridin-4-yl]methanol is sourced from PubChem (CID 142201396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).