3-tert-butyl-2-phenylmethoxypyridine

C16H19NO — CID 157173376

IUPAC3-tert-butyl-2-phenylmethoxypyridine
SMILESCC(C)(C)c1cccnc1OCc1ccccc1
InChIInChI=1S/C16H19NO/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKeyJXOKEVWSJOOXKZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.96
Rot. Bonds3

About 3-tert-butyl-2-phenylmethoxypyridine

3-tert-butyl-2-phenylmethoxypyridine (PubChem CID 157173376) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-tert-butyl-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-tert-butyl-2-phenylmethoxypyridine
PubChem CID157173376
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-tert-butyl-2-phenylmethoxypyridine
SMILESCC(C)(C)c1cccnc1OCc1ccccc1
InChIInChI=1S/C16H19NO/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKeyJXOKEVWSJOOXKZ-UHFFFAOYSA-N
XLogP3.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
CID 67378993
1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
CID 11509064
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
CID 59309481
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
benzyl-(3-tert-butyl-2-pyridinyl)phosphane
CID 175437355
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
2-(4-tert-butylphenyl)-3-phenylmethoxypyridine
CID 174613488
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
2-[[5,11,17,23-tetratert-butyl-26-phenylmethoxy-27,28-bis(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 10351040

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-phenylmethoxypyridine?
The IUPAC name of 3-tert-butyl-2-phenylmethoxypyridine (CID 157173376) is 3-tert-butyl-2-phenylmethoxypyridine.
What is the SMILES notation for 3-tert-butyl-2-phenylmethoxypyridine?
The canonical SMILES for 3-tert-butyl-2-phenylmethoxypyridine is CC(C)(C)c1cccnc1OCc1ccccc1.
What is the InChIKey of 3-tert-butyl-2-phenylmethoxypyridine?
The InChIKey is JXOKEVWSJOOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3.
What are the key properties of 3-tert-butyl-2-phenylmethoxypyridine?
3-tert-butyl-2-phenylmethoxypyridine has a molecular weight of 241.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-phenylmethoxypyridine is sourced from PubChem (CID 157173376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).