(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol

C14H14N2O — CID 22630882

IUPAC(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(-c2ccc(/C=C/CO)cc2)nn1
InChIInChI=1S/C14H14N2O/c1-11-4-9-14(16-15-11)13-7-5-12(6-8-13)3-2-10-17/h2-9,17H,10H2,1H3/b3-2+
InChIKeyIFAYKJPWILUNTL-NSCUHMNNSA-N
MW226.28 g/mol
LogP2.46
Rot. Bonds3

About (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol

(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol (PubChem CID 22630882) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
PubChem CID22630882
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol
SMILESCc1ccc(-c2ccc(/C=C/CO)cc2)nn1
InChIInChI=1S/C14H14N2O/c1-11-4-9-14(16-15-11)13-7-5-12(6-8-13)3-2-10-17/h2-9,17H,10H2,1H3/b3-2+
InChIKeyIFAYKJPWILUNTL-NSCUHMNNSA-N
XLogP2.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol (CID 22630882) is (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol is Cc1ccc(-c2ccc(/C=C/CO)cc2)nn1.
What is the InChIKey of (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
The InChIKey is IFAYKJPWILUNTL-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-4-9-14(16-15-11)13-7-5-12(6-8-13)3-2-10-17/h2-9,17H,10H2,1H3/b3-2+.
What are the key properties of (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol?
(E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(6-methylpyridazin-3-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 22630882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).