(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone

C18H18ClFO3 — CID 18357490

IUPAC(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone
SMILESCCOC(OCC)c1ccccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFO3/c1-3-22-18(23-4-2)14-8-6-5-7-13(14)17(21)15-10-9-12(19)11-16(15)20/h5-11,18H,3-4H2,1-2H3
InChIKeyGHLOTOLVNNONDS-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.78
Rot. Bonds7

About (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone

(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone (PubChem CID 18357490) has the molecular formula C18H18ClFO3 and a molecular weight of 336.79 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone
PubChem CID18357490
Molecular FormulaC18H18ClFO3
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone
SMILESCCOC(OCC)c1ccccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFO3/c1-3-22-18(23-4-2)14-8-6-5-7-13(14)17(21)15-10-9-12(19)11-16(15)20/h5-11,18H,3-4H2,1-2H3
InChIKeyGHLOTOLVNNONDS-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)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-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone (CID 18357490) is (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone is CCOC(OCC)c1ccccc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone?
The InChIKey is GHLOTOLVNNONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO3/c1-3-22-18(23-4-2)14-8-6-5-7-13(14)17(21)15-10-9-12(19)11-16(15)20/h5-11,18H,3-4H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone?
(4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone has a molecular weight of 336.79 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-[2-(diethoxymethyl)phenyl]methanone is sourced from PubChem (CID 18357490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).