3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine

C21H21NO — CID 71204410

IUPAC3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-16(2)21-20(12-7-13-22-21)18-10-6-11-19(14-18)23-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3
InChIKeyKZKVNAPFQMEHJD-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.45
Rot. Bonds5

About 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine

3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine (PubChem CID 71204410) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
PubChem CID71204410
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncccc1-c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-16(2)21-20(12-7-13-22-21)18-10-6-11-19(14-18)23-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3
InChIKeyKZKVNAPFQMEHJD-UHFFFAOYSA-N
XLogP5.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
CID 142806094
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]benzoic acid
CID 10309647
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
8-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyridine
CID 25013106
2-methyl-4-(3-phenylmethoxyphenyl)-1-propan-2-ylsulfanylbenzene
CID 166899428
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine (CID 71204410) is 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine is CC(C)c1ncccc1-c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine?
The InChIKey is KZKVNAPFQMEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16(2)21-20(12-7-13-22-21)18-10-6-11-19(14-18)23-15-17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine?
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine has a molecular weight of 303.41 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 71204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).