1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone

C17H17FO2 — CID 78992368

IUPAC1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCCc1ccc(COc2ccc(F)cc2C(C)=O)cc1
InChIInChI=1S/C17H17FO2/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10H,3,11H2,1-2H3
InChIKeyXJWWZXZYYBQNOW-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 78992368) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
PubChem CID78992368
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCCc1ccc(COc2ccc(F)cc2C(C)=O)cc1
InChIInChI=1S/C17H17FO2/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10H,3,11H2,1-2H3
InChIKeyXJWWZXZYYBQNOW-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 112726596
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
3-[(2-acetyl-4-fluorophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787679
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone (CID 78992368) is 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone is CCc1ccc(COc2ccc(F)cc2C(C)=O)cc1.
What is the InChIKey of 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is XJWWZXZYYBQNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-13-4-6-14(7-5-13)11-20-17-9-8-15(18)10-16(17)12(2)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone has a molecular weight of 272.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 78992368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).