3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol

C13H16N2O2 — CID 107680067

IUPAC3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
SMILESCc1cc(O)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C13H16N2O2/c1-10-7-12(16)9-13(8-10)17-6-4-11-3-5-14-15(11)2/h3,5,7-9,16H,4,6H2,1-2H3
InChIKeyDVTSAKKFANPLJB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol

3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol (PubChem CID 107680067) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
PubChem CID107680067
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
SMILESCc1cc(O)cc(OCCc2ccnn2C)c1
InChIInChI=1S/C13H16N2O2/c1-10-7-12(16)9-13(8-10)17-6-4-11-3-5-14-15(11)2/h3,5,7-9,16H,4,6H2,1-2H3
InChIKeyDVTSAKKFANPLJB-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
CID 103002738
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 103012792
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol?
The IUPAC name of 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol (CID 107680067) is 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol.
What is the SMILES notation for 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol?
The canonical SMILES for 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol is Cc1cc(O)cc(OCCc2ccnn2C)c1.
What is the InChIKey of 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol?
The InChIKey is DVTSAKKFANPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-7-12(16)9-13(8-10)17-6-4-11-3-5-14-15(11)2/h3,5,7-9,16H,4,6H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol?
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol has a molecular weight of 232.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol is sourced from PubChem (CID 107680067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).