[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol

C17H19NO2 — CID 71522469

IUPAC[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol
SMILESCc1cccc(C2(C(O)c3ccccn3)CCCO2)c1
InChIInChI=1S/C17H19NO2/c1-13-6-4-7-14(12-13)17(9-5-11-20-17)16(19)15-8-2-3-10-18-15/h2-4,6-8,10,12,16,19H,5,9,11H2,1H3
InChIKeyMLHXMLLEBHQNGN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.13
Rot. Bonds3

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

[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol (PubChem CID 71522469) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol
PubChem CID71522469
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol
SMILESCc1cccc(C2(C(O)c3ccccn3)CCCO2)c1
InChIInChI=1S/C17H19NO2/c1-13-6-4-7-14(12-13)17(9-5-11-20-17)16(19)15-8-2-3-10-18-15/h2-4,6-8,10,12,16,19H,5,9,11H2,1H3
InChIKeyMLHXMLLEBHQNGN-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol?
The IUPAC name of [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol (CID 71522469) is [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol is Cc1cccc(C2(C(O)c3ccccn3)CCCO2)c1.
What is the InChIKey of [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol?
The InChIKey is MLHXMLLEBHQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-6-4-7-14(12-13)17(9-5-11-20-17)16(19)15-8-2-3-10-18-15/h2-4,6-8,10,12,16,19H,5,9,11H2,1H3.
What are the key properties of [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol?
[2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol has a molecular weight of 269.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)oxolan-2-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 71522469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).