5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol

C16H14N2O2 — CID 764769

IUPAC5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H14N2O2/c1-20-12-7-8-13(15(19)9-12)16-14(10-17-18-16)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyIECKKLKMMOXCGB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.46
Rot. Bonds3

About 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol

5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 764769) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID764769
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccccc2)c(O)c1
InChIInChI=1S/C16H14N2O2/c1-20-12-7-8-13(15(19)9-12)16-14(10-17-18-16)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)
InChIKeyIECKKLKMMOXCGB-UHFFFAOYSA-N
XLogP3.46
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol (CID 764769) is 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol is COc1ccc(-c2[nH]ncc2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is IECKKLKMMOXCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-12-7-8-13(15(19)9-12)16-14(10-17-18-16)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18).
What are the key properties of 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol?
5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 266.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 764769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).