2-phenoxy-3,4-di(propan-2-yl)pyridine

C17H21NO — CID 167215535

IUPAC2-phenoxy-3,4-di(propan-2-yl)pyridine
SMILESCC(C)c1ccnc(Oc2ccccc2)c1C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)15-10-11-18-17(16(15)13(3)4)19-14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyJZMBNFPYTFLKBX-UHFFFAOYSA-N
MW255.36 g/mol
LogP5.12
Rot. Bonds4

About 2-phenoxy-3,4-di(propan-2-yl)pyridine

2-phenoxy-3,4-di(propan-2-yl)pyridine (PubChem CID 167215535) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-phenoxy-3,4-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name2-phenoxy-3,4-di(propan-2-yl)pyridine
PubChem CID167215535
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-phenoxy-3,4-di(propan-2-yl)pyridine
SMILESCC(C)c1ccnc(Oc2ccccc2)c1C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)15-10-11-18-17(16(15)13(3)4)19-14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyJZMBNFPYTFLKBX-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-3,4-di(propan-2-yl)pyridine?
The IUPAC name of 2-phenoxy-3,4-di(propan-2-yl)pyridine (CID 167215535) is 2-phenoxy-3,4-di(propan-2-yl)pyridine.
What is the SMILES notation for 2-phenoxy-3,4-di(propan-2-yl)pyridine?
The canonical SMILES for 2-phenoxy-3,4-di(propan-2-yl)pyridine is CC(C)c1ccnc(Oc2ccccc2)c1C(C)C.
What is the InChIKey of 2-phenoxy-3,4-di(propan-2-yl)pyridine?
The InChIKey is JZMBNFPYTFLKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)15-10-11-18-17(16(15)13(3)4)19-14-8-6-5-7-9-14/h5-13H,1-4H3.
What are the key properties of 2-phenoxy-3,4-di(propan-2-yl)pyridine?
2-phenoxy-3,4-di(propan-2-yl)pyridine has a molecular weight of 255.36 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-3,4-di(propan-2-yl)pyridine is sourced from PubChem (CID 167215535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).