3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol

C24H21ClN2O3 — CID 3639615

IUPAC3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
SMILESCc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3)c(C)c2O)c1Oc1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-15-21(29-14-17-8-10-18(25)11-9-17)13-12-20(23(15)28)22-24(16(2)26-27-22)30-19-6-4-3-5-7-19/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyJVJWIPZPXWIEIL-UHFFFAOYSA-N
MW420.90 g/mol
LogP6.42
Rot. Bonds6

About 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol

3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol (PubChem CID 3639615) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
PubChem CID3639615
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol
SMILESCc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3)c(C)c2O)c1Oc1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-15-21(29-14-17-8-10-18(25)11-9-17)13-12-20(23(15)28)22-24(16(2)26-27-22)30-19-6-4-3-5-7-19/h3-13,28H,14H2,1-2H3,(H,26,27)
InChIKeyJVJWIPZPXWIEIL-UHFFFAOYSA-N
XLogP6.42
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenyl)methoxy]-2-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135651835
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
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
CID 54377067
2-[4-(2-chlorophenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196382
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-[4-[(4-chlorophenyl)methoxy]-2-hydroxy-3-methylphenyl]ethanone
CID 11243259
4-[(4-chlorophenyl)methoxy]-2,3-dimethylbenzamide
CID 23219702
propyl 4-[[3-[4-[(4-ethenylphenyl)methoxy]-2-hydroxyphenyl]-5-methyl-1H-pyrazol-4-yl]oxy]benzoate
CID 135651450
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
3-(5-chloro-2-phenylmethoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazole
CID 58913658
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 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol (CID 3639615) is 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol is Cc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3)c(C)c2O)c1Oc1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol?
The InChIKey is JVJWIPZPXWIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15-21(29-14-17-8-10-18(25)11-9-17)13-12-20(23(15)28)22-24(16(2)26-27-22)30-19-6-4-3-5-7-19/h3-13,28H,14H2,1-2H3,(H,26,27).
What are the key properties of 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol?
3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol has a molecular weight of 420.90 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-2-methyl-6-(5-methyl-4-phenoxy-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 3639615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).