2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

C16H22N2O2 — CID 105083651

IUPAC2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H22N2O2/c1-10-6-7-15(20-5)13(8-10)9-14(19)16-11(2)17-18(4)12(16)3/h6-8,14,19H,9H2,1-5H3
InChIKeyLRGDPBIISVXNNQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol

2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105083651) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105083651
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H22N2O2/c1-10-6-7-15(20-5)13(8-10)9-14(19)16-11(2)17-18(4)12(16)3/h6-8,14,19H,9H2,1-5H3
InChIKeyLRGDPBIISVXNNQ-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105118289
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978204
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
1-(furan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895146
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(2-methoxy-5-methylphenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104822975
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105083651) is 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is COc1ccc(C)cc1CC(O)c1c(C)nn(C)c1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is LRGDPBIISVXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-7-15(20-5)13(8-10)9-14(19)16-11(2)17-18(4)12(16)3/h6-8,14,19H,9H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol?
2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105083651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).