5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol

C24H20Cl2N2O3 — CID 135618857

IUPAC5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C)c(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)c1
InChIInChI=1S/C24H20Cl2N2O3/c1-14-3-4-15(2)22(9-14)31-23-12-27-28-24(23)19-8-7-18(11-21(19)29)30-13-16-5-6-17(25)10-20(16)26/h3-12,29H,13H2,1-2H3,(H,27,28)
InChIKeyXTWFIMBWUHMXNA-UHFFFAOYSA-N
MW455.34 g/mol
LogP7.08
Rot. Bonds6

About 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol

5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 135618857) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID135618857
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C)c(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)c1
InChIInChI=1S/C24H20Cl2N2O3/c1-14-3-4-15(2)22(9-14)31-23-12-27-28-24(23)19-8-7-18(11-21(19)29)30-13-16-5-6-17(25)10-20(16)26/h3-12,29H,13H2,1-2H3,(H,27,28)
InChIKeyXTWFIMBWUHMXNA-UHFFFAOYSA-N
XLogP7.08
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chloro-3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-[(2,4-dichlorophenyl)methoxy]phenol
CID 135770022
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719474
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
5-[(2-fluorophenyl)methoxy]-2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 1387328
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
2-[4-(2,4-dichlorophenoxy)-5-methyl-1H-pyrazol-3-yl]-5-(2H-tetrazol-5-ylmethoxy)phenol
CID 164946717
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol (CID 135618857) is 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol is Cc1ccc(C)c(Oc2cn[nH]c2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)c1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is XTWFIMBWUHMXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-14-3-4-15(2)22(9-14)31-23-12-27-28-24(23)19-8-7-18(11-21(19)29)30-13-16-5-6-17(25)10-20(16)26/h3-12,29H,13H2,1-2H3,(H,27,28).
What are the key properties of 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol?
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 455.34 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methoxy]-2-[4-(2,5-dimethylphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135618857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).