(2-ethylphenyl)-pyridazin-3-ylmethanol

C13H14N2O — CID 21387578

IUPAC(2-ethylphenyl)-pyridazin-3-ylmethanol
SMILESCCc1ccccc1C(O)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-10-6-3-4-7-11(10)13(16)12-8-5-9-14-15-12/h3-9,13,16H,2H2,1H3
InChIKeySFXWJDLCEXGYFZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.12
Rot. Bonds3

About (2-ethylphenyl)-pyridazin-3-ylmethanol

(2-ethylphenyl)-pyridazin-3-ylmethanol (PubChem CID 21387578) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (2-ethylphenyl)-pyridazin-3-ylmethanol.

Molecular Properties

Compound Name(2-ethylphenyl)-pyridazin-3-ylmethanol
PubChem CID21387578
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(2-ethylphenyl)-pyridazin-3-ylmethanol
SMILESCCc1ccccc1C(O)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-10-6-3-4-7-11(10)13(16)12-8-5-9-14-15-12/h3-9,13,16H,2H2,1H3
InChIKeySFXWJDLCEXGYFZ-UHFFFAOYSA-N
XLogP2.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-pyridazin-3-ylmethanol?
The IUPAC name of (2-ethylphenyl)-pyridazin-3-ylmethanol (CID 21387578) is (2-ethylphenyl)-pyridazin-3-ylmethanol.
What is the SMILES notation for (2-ethylphenyl)-pyridazin-3-ylmethanol?
The canonical SMILES for (2-ethylphenyl)-pyridazin-3-ylmethanol is CCc1ccccc1C(O)c1cccnn1.
What is the InChIKey of (2-ethylphenyl)-pyridazin-3-ylmethanol?
The InChIKey is SFXWJDLCEXGYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-10-6-3-4-7-11(10)13(16)12-8-5-9-14-15-12/h3-9,13,16H,2H2,1H3.
What are the key properties of (2-ethylphenyl)-pyridazin-3-ylmethanol?
(2-ethylphenyl)-pyridazin-3-ylmethanol has a molecular weight of 214.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-pyridazin-3-ylmethanol is sourced from PubChem (CID 21387578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).