(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone

C19H19ClO — CID 143842918

IUPAC(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
SMILESC=C(C)C(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO/c1-13(2)14(3)12-15-4-6-16(7-5-15)19(21)17-8-10-18(20)11-9-17/h4-11,14H,1,12H2,2-3H3
InChIKeyDDXFPOHHOHMETB-UHFFFAOYSA-N
MW298.81 g/mol
LogP5.33
Rot. Bonds5

About (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone

(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone (PubChem CID 143842918) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
PubChem CID143842918
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
SMILESC=C(C)C(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClO/c1-13(2)14(3)12-15-4-6-16(7-5-15)19(21)17-8-10-18(20)11-9-17/h4-11,14H,1,12H2,2-3H3
InChIKeyDDXFPOHHOHMETB-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.81
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone (CID 143842918) is (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone is C=C(C)C(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone?
The InChIKey is DDXFPOHHOHMETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/c1-13(2)14(3)12-15-4-6-16(7-5-15)19(21)17-8-10-18(20)11-9-17/h4-11,14H,1,12H2,2-3H3.
What are the key properties of (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone?
(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone has a molecular weight of 298.81 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone is sourced from PubChem (CID 143842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).