(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal

C22H19ClO — CID 145089405

IUPAC(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal
SMILESCC(=C/C=O)/C=C/C=C(/C=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H19ClO/c1-18(16-17-24)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(23)15-12-19/h2-17H,1H3/b6-5+,13-10+,18-16-,21-9-
InChIKeyZGKZUJIRBHIWCO-SWQQZRPZSA-N
MW334.85 g/mol
LogP6.14
Rot. Bonds6

About (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal

(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal (PubChem CID 145089405) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal
PubChem CID145089405
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal
SMILESCC(=C/C=O)/C=C/C=C(/C=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H19ClO/c1-18(16-17-24)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(23)15-12-19/h2-17H,1H3/b6-5+,13-10+,18-16-,21-9-
InChIKeyZGKZUJIRBHIWCO-SWQQZRPZSA-N
XLogP6.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal?
The IUPAC name of (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal (CID 145089405) is (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal.
What is the SMILES notation for (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal?
The canonical SMILES for (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal is CC(=C/C=O)/C=C/C=C(/C=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal?
The InChIKey is ZGKZUJIRBHIWCO-SWQQZRPZSA-N. The full InChI is InChI=1S/C22H19ClO/c1-18(16-17-24)6-5-9-21(20-7-3-2-4-8-20)13-10-19-11-14-22(23)15-12-19/h2-17H,1H3/b6-5+,13-10+,18-16-,21-9-.
What are the key properties of (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal?
(2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal has a molecular weight of 334.85 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z,8E)-9-(4-chlorophenyl)-3-methyl-7-phenylnona-2,4,6,8-tetraenal is sourced from PubChem (CID 145089405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).