1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone

C16H15FO3 — CID 973317

IUPAC1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11(18)12-3-8-16(19-2)13(9-12)10-20-15-6-4-14(17)5-7-15/h3-9H,10H2,1-2H3
InChIKeyBUHOGTSVNZPRAC-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone

1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone (PubChem CID 973317) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
PubChem CID973317
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1ccc(F)cc1
InChIInChI=1S/C16H15FO3/c1-11(18)12-3-8-16(19-2)13(9-12)10-20-15-6-4-14(17)5-7-15/h3-9H,10H2,1-2H3
InChIKeyBUHOGTSVNZPRAC-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Octabenzone
CID 15797
Ipriflavone
CID 3747
4'-Methoxychalcone
CID 641818
4'-Methoxyflavone
CID 77793
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
7-Methoxy-2-methylisoflavone
CID 354368
4,4'-Dimethoxybenzil
CID 71043
4-Methoxychalcone
CID 641819
1-(4-(Acetyloxy)-3-((acetyloxy)methyl)phenyl)ethanone
CID 154871
2'-Methoxyflavone
CID 146492
7-Methoxyflavanone
CID 2825024
Isopongaflavone
CID 10958572

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone (CID 973317) is 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1COc1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is BUHOGTSVNZPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11(18)12-3-8-16(19-2)13(9-12)10-20-15-6-4-14(17)5-7-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 274.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 973317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).