2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol

C26H26N2O4 — CID 135651652

IUPAC2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
SMILESCCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C
InChIInChI=1S/C26H26N2O4/c1-4-30-23-11-7-8-12-24(23)32-26-18(3)27-28-25(26)21-14-13-20(15-22(21)29)31-16-19-10-6-5-9-17(19)2/h5-15,29H,4,16H2,1-3H3,(H,27,28)
InChIKeyLKQOGEHBQIFJMV-UHFFFAOYSA-N
MW430.50 g/mol
LogP6.17
Rot. Bonds8

About 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol

2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol (PubChem CID 135651652) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
PubChem CID135651652
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
SMILESCCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C
InChIInChI=1S/C26H26N2O4/c1-4-30-23-11-7-8-12-24(23)32-26-18(3)27-28-25(26)21-14-13-20(15-22(21)29)31-16-19-10-6-5-9-17(19)2/h5-15,29H,4,16H2,1-3H3,(H,27,28)
InChIKeyLKQOGEHBQIFJMV-UHFFFAOYSA-N
XLogP6.17
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
CID 3576996
2-[3-hydroxy-4-[4-(2-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenoxy]acetohydrazide
CID 1394611
N-(3-ethanehydrazonoylphenyl)-2-[4-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy]acetamide
CID 135653587
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
4-ethyl-2-[4-(2-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-methylphenol
CID 135503160
methyl 4-[[3-(2-hydroxy-4-phenylmethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 135651536
2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
CID 164946717
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
CID 1325225
5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 2002675
5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
CID 135652427
methyl 4-[[3-[4-(2-hydrazinyl-2-oxoethoxy)-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 2020812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol (CID 135651652) is 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol is CCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol?
The InChIKey is LKQOGEHBQIFJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-4-30-23-11-7-8-12-24(23)32-26-18(3)27-28-25(26)21-14-13-20(15-22(21)29)31-16-19-10-6-5-9-17(19)2/h5-15,29H,4,16H2,1-3H3,(H,27,28).
What are the key properties of 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol?
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol has a molecular weight of 430.50 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol is sourced from PubChem (CID 135651652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).