4-[(1-methylpyrazol-4-yl)methoxy]phenol

C11H12N2O2 — CID 43143345

IUPAC4-[(1-methylpyrazol-4-yl)methoxy]phenol
SMILESCn1cc(COc2ccc(O)cc2)cn1
InChIInChI=1S/C11H12N2O2/c1-13-7-9(6-12-13)8-15-11-4-2-10(14)3-5-11/h2-7,14H,8H2,1H3
InChIKeySSMIWDNWERIOBC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.70
Rot. Bonds3

About 4-[(1-methylpyrazol-4-yl)methoxy]phenol

4-[(1-methylpyrazol-4-yl)methoxy]phenol (PubChem CID 43143345) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(1-methylpyrazol-4-yl)methoxy]phenol
PubChem CID43143345
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-[(1-methylpyrazol-4-yl)methoxy]phenol
SMILESCn1cc(COc2ccc(O)cc2)cn1
InChIInChI=1S/C11H12N2O2/c1-13-7-9(6-12-13)8-15-11-4-2-10(14)3-5-11/h2-7,14H,8H2,1H3
InChIKeySSMIWDNWERIOBC-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-4-yl)methoxy]phenol?
The IUPAC name of 4-[(1-methylpyrazol-4-yl)methoxy]phenol (CID 43143345) is 4-[(1-methylpyrazol-4-yl)methoxy]phenol.
What is the SMILES notation for 4-[(1-methylpyrazol-4-yl)methoxy]phenol?
The canonical SMILES for 4-[(1-methylpyrazol-4-yl)methoxy]phenol is Cn1cc(COc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[(1-methylpyrazol-4-yl)methoxy]phenol?
The InChIKey is SSMIWDNWERIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-7-9(6-12-13)8-15-11-4-2-10(14)3-5-11/h2-7,14H,8H2,1H3.
What are the key properties of 4-[(1-methylpyrazol-4-yl)methoxy]phenol?
4-[(1-methylpyrazol-4-yl)methoxy]phenol has a molecular weight of 204.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-4-yl)methoxy]phenol is sourced from PubChem (CID 43143345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).