4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol

Name: 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₄N₂O₂ — CID 137057864

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol

SMILESCOc1cnnc(C)c1-c1ccc(O)cc1C

InChIInChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)13-9(2)15-14-7-12(13)17-3/h4-7,16H,1-3H3

InChIKeyTWTWOQHHHFDQIQ-UHFFFAOYSA-N

MW230.27 g/mol

LogP2.47

Rot. Bonds2

About 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol

4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol (PubChem CID 137057864) has the molecular formula C₁₃H₁₄N₂O₂ and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol.

Molecular Properties

Compound Name	4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol
PubChem CID	137057864
Molecular Formula	C₁₃H₁₄N₂O₂
Molecular Weight	230.27 g/mol
Exact Mass	230.11
IUPAC Name	4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol
SMILES	COc1cnnc(C)c1-c1ccc(O)cc1C
InChI	InChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)13-9(2)15-14-7-12(13)17-3/h4-7,16H,1-3H3
InChIKey	TWTWOQHHHFDQIQ-UHFFFAOYSA-N
XLogP	2.47
TPSA	55.24 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.27
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol?

The IUPAC name of 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol (CID 137057864) is 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol.

What is the SMILES notation for 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol?

The canonical SMILES for 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol is COc1cnnc(C)c1-c1ccc(O)cc1C.

What is the InChIKey of 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol?

The InChIKey is TWTWOQHHHFDQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-10(16)4-5-11(8)13-9(2)15-14-7-12(13)17-3/h4-7,16H,1-3H3.

What are the key properties of 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol?

4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methoxy-3-methylpyridazin-4-yl)-3-methylphenol is sourced from PubChem (CID 137057864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 137057864 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.