5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

C23H18ClFN2O3 — CID 135652165

IUPAC5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1
InChIInChI=1S/C23H18ClFN2O3/c1-29-15-7-5-14(6-8-15)18-12-26-27-23(18)17-10-9-16(11-22(17)28)30-13-19-20(24)3-2-4-21(19)25/h2-12,28H,13H2,1H3,(H,26,27)
InChIKeyBVGRMCVEYPAHNQ-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.83
Rot. Bonds6

About 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol

5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 135652165) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID135652165
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
SMILESCOc1ccc(-c2cn[nH]c2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1
InChIInChI=1S/C23H18ClFN2O3/c1-29-15-7-5-14(6-8-15)18-12-26-27-23(18)17-10-9-16(11-22(17)28)30-13-19-20(24)3-2-4-21(19)25/h2-12,28H,13H2,1H3,(H,26,27)
InChIKeyBVGRMCVEYPAHNQ-UHFFFAOYSA-N
XLogP5.83
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol (CID 135652165) is 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is COc1ccc(-c2cn[nH]c2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is BVGRMCVEYPAHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c1-29-15-7-5-14(6-8-15)18-12-26-27-23(18)17-10-9-16(11-22(17)28)30-13-19-20(24)3-2-4-21(19)25/h2-12,28H,13H2,1H3,(H,26,27).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol?
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 424.86 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135652165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).