1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone

C16H15FO4 — CID 169303341

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H15FO4/c1-19-11-3-5-12(6-4-11)21-10-16(18)14-8-7-13(20-2)9-15(14)17/h3-9H,10H2,1-2H3
InChIKeyBNYSZFVAZIOSGX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone

1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 169303341) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
PubChem CID169303341
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H15FO4/c1-19-11-3-5-12(6-4-11)21-10-16(18)14-8-7-13(20-2)9-15(14)17/h3-9H,10H2,1-2H3
InChIKeyBNYSZFVAZIOSGX-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 4314291
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 55157298

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone (CID 169303341) is 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is BNYSZFVAZIOSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-11-3-5-12(6-4-11)21-10-16(18)14-8-7-13(20-2)9-15(14)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone?
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 290.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 169303341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).