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

C17H12ClF3N2O2 — CID 137183395

IUPAC4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(OCc2ccc(Cl)cc2)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H12ClF3N2O2/c18-11-3-1-10(2-4-11)9-25-12-5-6-15(24)13(7-12)14-8-16(23-22-14)17(19,20)21/h1-8,24H,9H2,(H,22,23)
InChIKeyRCWDKKAVXNRTHW-UHFFFAOYSA-N
MW368.74 g/mol
LogP5.03
Rot. Bonds4

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

4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183395) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183395
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(OCc2ccc(Cl)cc2)cc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C17H12ClF3N2O2/c18-11-3-1-10(2-4-11)9-25-12-5-6-15(24)13(7-12)14-8-16(23-22-14)17(19,20)21/h1-8,24H,9H2,(H,22,23)
InChIKeyRCWDKKAVXNRTHW-UHFFFAOYSA-N
XLogP5.03
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.74
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
4-chloro-3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 155402446
4-[(4-chlorophenoxy)methyl]-2-(trifluoromethyl)phenol
CID 117220430
4-[(4-chlorophenyl)methoxy]-2-[4-[3-(methyliminomethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 146932243
5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183421
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
2-[4-(2-chlorophenoxy)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196382
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 2035965
2-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 146433212
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 2015794

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183395) is 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(OCc2ccc(Cl)cc2)cc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is RCWDKKAVXNRTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-11-3-1-10(2-4-11)9-25-12-5-6-15(24)13(7-12)14-8-16(23-22-14)17(19,20)21/h1-8,24H,9H2,(H,22,23).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 368.74 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).