formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine

C22H29NO5 — CID 158169921

IUPACformic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine
SMILESCc1ncccc1-c1ccc(OC(C)(C)C)cc1OC1CCOCC1.O=CO
InChIInChI=1S/C21H27NO3.CH2O2/c1-15-18(6-5-11-22-15)19-8-7-17(25-21(2,3)4)14-20(19)24-16-9-12-23-13-10-16;2-1-3/h5-8,11,14,16H,9-10,12-13H2,1-4H3;1H,(H,2,3)
InChIKeyFXICBLDEMHGTKJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.49
Rot. Bonds4

About formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine

formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine (PubChem CID 158169921) has the molecular formula C22H29NO5 and a molecular weight of 387.48 g/mol. Its IUPAC name is formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine.

Molecular Properties

Compound Nameformic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine
PubChem CID158169921
Molecular FormulaC22H29NO5
Molecular Weight387.48 g/mol
Exact Mass387.20
IUPAC Nameformic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine
SMILESCc1ncccc1-c1ccc(OC(C)(C)C)cc1OC1CCOCC1.O=CO
InChIInChI=1S/C21H27NO3.CH2O2/c1-15-18(6-5-11-22-15)19-8-7-17(25-21(2,3)4)14-20(19)24-16-9-12-23-13-10-16;2-1-3/h5-8,11,14,16H,9-10,12-13H2,1-4H3;1H,(H,2,3)
InChIKeyFXICBLDEMHGTKJ-UHFFFAOYSA-N
XLogP4.49
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine?
The IUPAC name of formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine (CID 158169921) is formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine.
What is the SMILES notation for formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine?
The canonical SMILES for formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine is Cc1ncccc1-c1ccc(OC(C)(C)C)cc1OC1CCOCC1.O=CO.
What is the InChIKey of formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine?
The InChIKey is FXICBLDEMHGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3.CH2O2/c1-15-18(6-5-11-22-15)19-8-7-17(25-21(2,3)4)14-20(19)24-16-9-12-23-13-10-16;2-1-3/h5-8,11,14,16H,9-10,12-13H2,1-4H3;1H,(H,2,3).
What are the key properties of formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine?
formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine has a molecular weight of 387.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine is sourced from PubChem (CID 158169921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).