[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol

C21H22N2O3 — CID 69106383

IUPAC[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol
SMILESOCc1ccc(OCCCc2ccc(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N2O3/c24-15-17-8-11-20(12-9-17)25-14-4-7-19-10-13-21(23-22-19)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,24H,4,7,14-16H2
InChIKeyJMYKHBZIBUCVGG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.56
Rot. Bonds9

About [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol

[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol (PubChem CID 69106383) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol
PubChem CID69106383
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol
SMILESOCc1ccc(OCCCc2ccc(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N2O3/c24-15-17-8-11-20(12-9-17)25-14-4-7-19-10-13-21(23-22-19)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,24H,4,7,14-16H2
InChIKeyJMYKHBZIBUCVGG-UHFFFAOYSA-N
XLogP3.56
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-bis(phenylmethoxy)pyridazine
CID 68982842
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methanol
CID 61257374
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
6-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 59439140
7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 24986848
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951

Frequently Asked Questions

What is the IUPAC name of [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol?
The IUPAC name of [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol (CID 69106383) is [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol.
What is the SMILES notation for [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol?
The canonical SMILES for [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol is OCc1ccc(OCCCc2ccc(OCc3ccccc3)nn2)cc1.
What is the InChIKey of [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol?
The InChIKey is JMYKHBZIBUCVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-15-17-8-11-20(12-9-17)25-14-4-7-19-10-13-21(23-22-19)26-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,24H,4,7,14-16H2.
What are the key properties of [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol?
[4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol has a molecular weight of 350.42 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(6-phenylmethoxypyridazin-3-yl)propoxy]phenyl]methanol is sourced from PubChem (CID 69106383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).