(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal

C19H12Cl2N2O2 — CID 168875532

IUPAC(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal
SMILESO=C/C=C(/c1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H12Cl2N2O2/c20-15-5-1-13(2-6-15)17(11-12-24)14-3-7-16(8-4-14)25-19-10-9-18(21)22-23-19/h1-12H/b17-11-
InChIKeyBRMWKJJTZFIXLH-BOPFTXTBSA-N
MW371.22 g/mol
LogP5.21
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal

(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal (PubChem CID 168875532) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal
PubChem CID168875532
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal
SMILESO=C/C=C(/c1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H12Cl2N2O2/c20-15-5-1-13(2-6-15)17(11-12-24)14-3-7-16(8-4-14)25-19-10-9-18(21)22-23-19/h1-12H/b17-11-
InChIKeyBRMWKJJTZFIXLH-BOPFTXTBSA-N
XLogP5.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.22
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
CID 175426617
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
CID 134116481
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 175426620
6-(4-chlorophenoxy)pyridazine-3-carboxylic acid
CID 60791476
6-(4-chlorophenoxy)pyridazin-3-amine
CID 14294273
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13050847
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
3-(4-chlorophenyl)but-2-enal
CID 74343436
3-(4-chlorophenoxy)pyridazine
CID 54052757

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal?
The IUPAC name of (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal (CID 168875532) is (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal?
The canonical SMILES for (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal is O=C/C=C(/c1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)nn2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal?
The InChIKey is BRMWKJJTZFIXLH-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-15-5-1-13(2-6-15)17(11-12-24)14-3-7-16(8-4-14)25-19-10-9-18(21)22-23-19/h1-12H/b17-11-.
What are the key properties of (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal?
(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal has a molecular weight of 371.22 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal is sourced from PubChem (CID 168875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).