[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol

C24H17Cl2F3N2O2 — CID 59240109

IUPAC[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
SMILESOCc1ccccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H17Cl2F3N2O2/c25-20-6-3-7-21(26)23(20)31-17(12-22(30-31)24(27,28)29)14-33-18-10-8-15(9-11-18)19-5-2-1-4-16(19)13-32/h1-12,32H,13-14H2
InChIKeyTXKIWEZZYLPXCC-UHFFFAOYSA-N
MW493.31 g/mol
LogP6.94
Rot. Bonds6

About [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol

[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol (PubChem CID 59240109) has the molecular formula C24H17Cl2F3N2O2 and a molecular weight of 493.31 g/mol. Its IUPAC name is [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
PubChem CID59240109
Molecular FormulaC24H17Cl2F3N2O2
Molecular Weight493.31 g/mol
Exact Mass492.06
IUPAC Name[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol
SMILESOCc1ccccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H17Cl2F3N2O2/c25-20-6-3-7-21(26)23(20)31-17(12-22(30-31)24(27,28)29)14-33-18-10-8-15(9-11-18)19-5-2-1-4-16(19)13-32/h1-12,32H,13-14H2
InChIKeyTXKIWEZZYLPXCC-UHFFFAOYSA-N
XLogP6.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.31
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The IUPAC name of [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol (CID 59240109) is [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol.
What is the SMILES notation for [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The canonical SMILES for [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol is OCc1ccccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
The InChIKey is TXKIWEZZYLPXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N2O2/c25-20-6-3-7-21(26)23(20)31-17(12-22(30-31)24(27,28)29)14-33-18-10-8-15(9-11-18)19-5-2-1-4-16(19)13-32/h1-12,32H,13-14H2.
What are the key properties of [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol?
[2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol has a molecular weight of 493.31 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methanol is sourced from PubChem (CID 59240109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).