[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol

C17H19NO3 — CID 71522366

IUPAC[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol
SMILESCOc1ccc(C2(C(O)c3ccccn3)CCOC2)cc1
InChIInChI=1S/C17H19NO3/c1-20-14-7-5-13(6-8-14)17(9-11-21-12-17)16(19)15-4-2-3-10-18-15/h2-8,10,16,19H,9,11-12H2,1H3
InChIKeyBPUHKSKOVICEMU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.48
Rot. Bonds4

About [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol

[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol (PubChem CID 71522366) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol
PubChem CID71522366
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol
SMILESCOc1ccc(C2(C(O)c3ccccn3)CCOC2)cc1
InChIInChI=1S/C17H19NO3/c1-20-14-7-5-13(6-8-14)17(9-11-21-12-17)16(19)15-4-2-3-10-18-15/h2-8,10,16,19H,9,11-12H2,1H3
InChIKeyBPUHKSKOVICEMU-UHFFFAOYSA-N
XLogP2.48
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol?
The IUPAC name of [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol (CID 71522366) is [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol is COc1ccc(C2(C(O)c3ccccn3)CCOC2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol?
The InChIKey is BPUHKSKOVICEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-14-7-5-13(6-8-14)17(9-11-21-12-17)16(19)15-4-2-3-10-18-15/h2-8,10,16,19H,9,11-12H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol?
[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol has a molecular weight of 285.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 71522366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).