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

C18H17Cl2FO3 — CID 18357529

IUPAC[4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
SMILESCCOC(OCC)c1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17Cl2FO3/c1-3-23-18(24-4-2)15-9-11(19)5-7-13(15)17(22)14-8-6-12(20)10-16(14)21/h5-10,18H,3-4H2,1-2H3
InChIKeyLVLGOFCAKHPSNE-UHFFFAOYSA-N
MW371.24 g/mol
LogP5.44
Rot. Bonds7

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

[4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone (PubChem CID 18357529) has the molecular formula C18H17Cl2FO3 and a molecular weight of 371.24 g/mol. Its IUPAC name is [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
PubChem CID18357529
Molecular FormulaC18H17Cl2FO3
Molecular Weight371.24 g/mol
Exact Mass370.05
IUPAC Name[4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
SMILESCCOC(OCC)c1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C18H17Cl2FO3/c1-3-23-18(24-4-2)15-9-11(19)5-7-13(15)17(22)14-8-6-12(20)10-16(14)21/h5-10,18H,3-4H2,1-2H3
InChIKeyLVLGOFCAKHPSNE-UHFFFAOYSA-N
XLogP5.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.24
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone (CID 18357529) is [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone is CCOC(OCC)c1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is LVLGOFCAKHPSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FO3/c1-3-23-18(24-4-2)15-9-11(19)5-7-13(15)17(22)14-8-6-12(20)10-16(14)21/h5-10,18H,3-4H2,1-2H3.
What are the key properties of [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone?
[4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 371.24 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 18357529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).