6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol

C16H12ClFN2O — CID 59299264

IUPAC6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
SMILESOc1c(Cl)ccc(Cc2cc(-c3ccccc3)n[nH]2)c1F
InChIInChI=1S/C16H12ClFN2O/c17-13-7-6-11(15(18)16(13)21)8-12-9-14(20-19-12)10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)
InChIKeyIWSOXCYMOWIHAD-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.17
Rot. Bonds3

About 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol

6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol (PubChem CID 59299264) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
PubChem CID59299264
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
SMILESOc1c(Cl)ccc(Cc2cc(-c3ccccc3)n[nH]2)c1F
InChIInChI=1S/C16H12ClFN2O/c17-13-7-6-11(15(18)16(13)21)8-12-9-14(20-19-12)10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20)
InChIKeyIWSOXCYMOWIHAD-UHFFFAOYSA-N
XLogP4.17
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The IUPAC name of 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol (CID 59299264) is 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol.
What is the SMILES notation for 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The canonical SMILES for 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol is Oc1c(Cl)ccc(Cc2cc(-c3ccccc3)n[nH]2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The InChIKey is IWSOXCYMOWIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-7-6-11(15(18)16(13)21)8-12-9-14(20-19-12)10-4-2-1-3-5-10/h1-7,9,21H,8H2,(H,19,20).
What are the key properties of 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol has a molecular weight of 302.74 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol is sourced from PubChem (CID 59299264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).