(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol

C13H14N2O2 — CID 166845055

IUPAC(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol
SMILESCOc1ccc(CO)c(C)c1-c1cccnn1
InChIInChI=1S/C13H14N2O2/c1-9-10(8-16)5-6-12(17-2)13(9)11-4-3-7-14-15-11/h3-7,16H,8H2,1-2H3
InChIKeyPVBKKOOWCDAARR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.95
Rot. Bonds3

About (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol

(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol (PubChem CID 166845055) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol
PubChem CID166845055
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol
SMILESCOc1ccc(CO)c(C)c1-c1cccnn1
InChIInChI=1S/C13H14N2O2/c1-9-10(8-16)5-6-12(17-2)13(9)11-4-3-7-14-15-11/h3-7,16H,8H2,1-2H3
InChIKeyPVBKKOOWCDAARR-UHFFFAOYSA-N
XLogP1.95
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-methoxy-2-methyl-3-pyridazin-3-ylbenzoate
CID 163789678
[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol
CID 142818156
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834065
(2-(111C)methoxyphenyl)methanol
CID 59897789
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol?
The IUPAC name of (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol (CID 166845055) is (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol.
What is the SMILES notation for (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol?
The canonical SMILES for (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol is COc1ccc(CO)c(C)c1-c1cccnn1.
What is the InChIKey of (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol?
The InChIKey is PVBKKOOWCDAARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-10(8-16)5-6-12(17-2)13(9)11-4-3-7-14-15-11/h3-7,16H,8H2,1-2H3.
What are the key properties of (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol?
(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol has a molecular weight of 230.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol is sourced from PubChem (CID 166845055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).