4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C24H13Cl3F6N2O2 — CID 155402446

IUPAC4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)cc(Cl)c(OCc2ccc(Cl)cc2)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H13Cl3F6N2O2/c25-13-4-1-11(2-5-13)10-37-22-17(27)8-14(18-9-19(35-34-18)24(31,32)33)21(36)20(22)12-3-6-16(26)15(7-12)23(28,29)30/h1-9,36H,10H2,(H,34,35)
InChIKeyZRDCIWCWMJWHDT-UHFFFAOYSA-N
MW581.73 g/mol
LogP9.03
Rot. Bonds5

About 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 155402446) has the molecular formula C24H13Cl3F6N2O2 and a molecular weight of 581.73 g/mol. Its IUPAC name is 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID155402446
Molecular FormulaC24H13Cl3F6N2O2
Molecular Weight581.73 g/mol
Exact Mass579.99
IUPAC Name4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)cc(Cl)c(OCc2ccc(Cl)cc2)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C24H13Cl3F6N2O2/c25-13-4-1-11(2-5-13)10-37-22-17(27)8-14(18-9-19(35-34-18)24(31,32)33)21(36)20(22)12-3-6-16(26)15(7-12)23(28,29)30/h1-9,36H,10H2,(H,34,35)
InChIKeyZRDCIWCWMJWHDT-UHFFFAOYSA-N
XLogP9.03
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.73
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183395
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylbut-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779184
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
5-[[4-chloro-N-methyl-3-(trifluoromethyl)anilino]methyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 155402351
[3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl] 2,3-dihydroxy-2-(hydroxymethyl)propanoate
CID 170766039
3-[[4-[2-(2-aminoethoxy)ethoxy]phenyl]methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 170759699
1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]propane-2-thione
CID 149226148
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183421
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methoxyethoxy)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 155402428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 155402446) is 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1c(-c2cc(C(F)(F)F)[nH]n2)cc(Cl)c(OCc2ccc(Cl)cc2)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is ZRDCIWCWMJWHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3F6N2O2/c25-13-4-1-11(2-5-13)10-37-22-17(27)8-14(18-9-19(35-34-18)24(31,32)33)21(36)20(22)12-3-6-16(26)15(7-12)23(28,29)30/h1-9,36H,10H2,(H,34,35).
What are the key properties of 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 581.73 g/mol, XLogP of 9.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 155402446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).