3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol

C14H16N2O2 — CID 114268810

IUPAC3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccc2)nn1
InChIInChI=1S/C14H16N2O2/c1-18-14-10-8-12(15-16-14)7-9-13(17)11-5-3-2-4-6-11/h2-6,8,10,13,17H,7,9H2,1H3
InChIKeyWRKIGTLSPCNCGC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.15
Rot. Bonds5

About 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol

3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol (PubChem CID 114268810) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol
PubChem CID114268810
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccc2)nn1
InChIInChI=1S/C14H16N2O2/c1-18-14-10-8-12(15-16-14)7-9-13(17)11-5-3-2-4-6-11/h2-6,8,10,13,17H,7,9H2,1H3
InChIKeyWRKIGTLSPCNCGC-UHFFFAOYSA-N
XLogP2.15
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-2-pyridinyl)-1-phenylpropan-1-ol
CID 79423728
1-phenyl-2-trimethoxysilylethanol
CID 67153670
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
1-phenyl-3-trimethylsilyloxypropan-1-ol
CID 100965163
benzene;2-methoxy-1-phenylethanol
CID 174622919
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-1-phenylpentan-1-ol
CID 6992754
3-methoxy-6-[methoxy(phenyl)methyl]pyridazine
CID 15684260
methyl (2R,3R)-2-deuterio-3-hydroxy-3-phenylpropanoate
CID 25241509

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol (CID 114268810) is 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol is COc1ccc(CCC(O)c2ccccc2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol?
The InChIKey is WRKIGTLSPCNCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14-10-8-12(15-16-14)7-9-13(17)11-5-3-2-4-6-11/h2-6,8,10,13,17H,7,9H2,1H3.
What are the key properties of 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol?
3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol has a molecular weight of 244.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 114268810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).