2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol

C16H14N2O2 — CID 117234052

IUPAC2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol
SMILESOc1ccccc1COc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c19-16-9-5-4-6-13(16)12-20-15-10-17-18(11-15)14-7-2-1-3-8-14/h1-11,19H,12H2
InChIKeyBYVKJBDBZKUWCW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds4

About 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol

2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol (PubChem CID 117234052) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol
PubChem CID117234052
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol
SMILESOc1ccccc1COc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H14N2O2/c19-16-9-5-4-6-13(16)12-20-15-10-17-18(11-15)14-7-2-1-3-8-14/h1-11,19H,12H2
InChIKeyBYVKJBDBZKUWCW-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol (CID 117234052) is 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol is Oc1ccccc1COc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol?
The InChIKey is BYVKJBDBZKUWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-9-5-4-6-13(16)12-20-15-10-17-18(11-15)14-7-2-1-3-8-14/h1-11,19H,12H2.
What are the key properties of 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol?
2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazol-4-yl)oxymethyl]phenol is sourced from PubChem (CID 117234052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).