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

C17H17FO2 — CID 91863374

IUPAC1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCCc1ccccc1COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C17H17FO2/c1-3-13-6-4-5-7-14(13)11-20-15-8-9-16(12(2)19)17(18)10-15/h4-10H,3,11H2,1-2H3
InChIKeyGUNHAKJUPFJLOY-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.17
Rot. Bonds5

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

1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone (PubChem CID 91863374) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
PubChem CID91863374
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCCc1ccccc1COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C17H17FO2/c1-3-13-6-4-5-7-14(13)11-20-15-8-9-16(12(2)19)17(18)10-15/h4-10H,3,11H2,1-2H3
InChIKeyGUNHAKJUPFJLOY-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

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Related Compounds

1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
1-[4-[(2-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864376
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone (CID 91863374) is 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone is CCc1ccccc1COc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone?
The InChIKey is GUNHAKJUPFJLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-13-6-4-5-7-14(13)11-20-15-8-9-16(12(2)19)17(18)10-15/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone?
1-[4-[(2-ethylphenyl)methoxy]-2-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-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 91863374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).