1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one

C19H13ClN2O2 — CID 175426617

IUPAC1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H13ClN2O2/c20-18-12-13-19(22-21-18)24-16-9-7-15(8-10-16)17(23)11-6-14-4-2-1-3-5-14/h1-13H
InChIKeyLEUHZWJWHRXQPH-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.82
Rot. Bonds5

About 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one

1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one (PubChem CID 175426617) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
PubChem CID175426617
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H13ClN2O2/c20-18-12-13-19(22-21-18)24-16-9-7-15(8-10-16)17(23)11-6-14-4-2-1-3-5-14/h1-13H
InChIKeyLEUHZWJWHRXQPH-UHFFFAOYSA-N
XLogP4.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 175426620
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
2-[4-(3-phenylprop-2-enoyl)phenoxy]propanedioic acid
CID 70588665
2-[4-[(Z)-3-phenylprop-2-enoyl]phenoxy]acetonitrile
CID 92909370
[4-[3-(2-chlorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
CID 3501825
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
CID 134116481
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one (CID 175426617) is 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1ccc(Oc2ccc(Cl)nn2)cc1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one?
The InChIKey is LEUHZWJWHRXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-18-12-13-19(22-21-18)24-16-9-7-15(8-10-16)17(23)11-6-14-4-2-1-3-5-14/h1-13H.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one?
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one has a molecular weight of 336.78 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 175426617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).