[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone

C18H18F2O3 — CID 164915429

IUPAC[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone
SMILESCCOC(OCC)c1ccccc1C(=O)c1cccc(F)c1F
InChIInChI=1S/C18H18F2O3/c1-3-22-18(23-4-2)13-9-6-5-8-12(13)17(21)14-10-7-11-15(19)16(14)20/h5-11,18H,3-4H2,1-2H3
InChIKeyLTUAYYOVNLPWFC-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.27
Rot. Bonds7

About [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone

[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone (PubChem CID 164915429) has the molecular formula C18H18F2O3 and a molecular weight of 320.34 g/mol. Its IUPAC name is [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone
PubChem CID164915429
Molecular FormulaC18H18F2O3
Molecular Weight320.34 g/mol
Exact Mass320.12
IUPAC Name[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone
SMILESCCOC(OCC)c1ccccc1C(=O)c1cccc(F)c1F
InChIInChI=1S/C18H18F2O3/c1-3-22-18(23-4-2)13-9-6-5-8-12(13)17(21)14-10-7-11-15(19)16(14)20/h5-11,18H,3-4H2,1-2H3
InChIKeyLTUAYYOVNLPWFC-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.27
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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Related Compounds

ethyl 2,3-difluorobenzoate
CID 2761174
bis[2-[ethoxy(phenyl)methyl]phenyl]methanone
CID 153325747
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
[5-(diethoxymethyl)thiophen-3-yl]-(2-fluorophenyl)methanone
CID 18357700
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 57049068
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517

Frequently Asked Questions

What is the IUPAC name of [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone?
The IUPAC name of [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone (CID 164915429) is [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone.
What is the SMILES notation for [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone?
The canonical SMILES for [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone is CCOC(OCC)c1ccccc1C(=O)c1cccc(F)c1F.
What is the InChIKey of [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone?
The InChIKey is LTUAYYOVNLPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O3/c1-3-22-18(23-4-2)13-9-6-5-8-12(13)17(21)14-10-7-11-15(19)16(14)20/h5-11,18H,3-4H2,1-2H3.
What are the key properties of [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone?
[2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone has a molecular weight of 320.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)phenyl]-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 164915429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).