3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol

C15H20N2O2 — CID 64783416

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
SMILESCCC(C)n1ccc(COc2cccc(O)c2C)n1
InChIInChI=1S/C15H20N2O2/c1-4-11(2)17-9-8-13(16-17)10-19-15-7-5-6-14(18)12(15)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyAUOJSHIYIGXEHB-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.45
Rot. Bonds5

About 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol

3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol (PubChem CID 64783416) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
PubChem CID64783416
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
SMILESCCC(C)n1ccc(COc2cccc(O)c2C)n1
InChIInChI=1S/C15H20N2O2/c1-4-11(2)17-9-8-13(16-17)10-19-15-7-5-6-14(18)12(15)3/h5-9,11,18H,4,10H2,1-3H3
InChIKeyAUOJSHIYIGXEHB-UHFFFAOYSA-N
XLogP3.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanol
CID 64785920
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79001134
2-(bromomethyl)-5-[(1-butan-2-ylpyrazol-3-yl)methoxy]pyridine
CID 79799473
5-amino-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzamide
CID 106956243
[3-bromo-4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800018

Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol (CID 64783416) is 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol is CCC(C)n1ccc(COc2cccc(O)c2C)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol?
The InChIKey is AUOJSHIYIGXEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-11(2)17-9-8-13(16-17)10-19-15-7-5-6-14(18)12(15)3/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol?
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol has a molecular weight of 260.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol is sourced from PubChem (CID 64783416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).