(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone

C15H19FO4 — CID 116748849

IUPAC(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC)c2F)CCOCC1
InChIInChI=1S/C15H19FO4/c1-3-20-15(7-9-19-10-8-15)14(17)11-5-4-6-12(18-2)13(11)16/h4-6H,3,7-10H2,1-2H3
InChIKeyWTYWHFHBGQZDGF-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.60
Rot. Bonds5

About (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone

(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 116748849) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID116748849
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCCOC1(C(=O)c2cccc(OC)c2F)CCOCC1
InChIInChI=1S/C15H19FO4/c1-3-20-15(7-9-19-10-8-15)14(17)11-5-4-6-12(18-2)13(11)16/h4-6H,3,7-10H2,1-2H3
InChIKeyWTYWHFHBGQZDGF-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
(3,5-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116748922
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate
CID 71967388
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone (CID 116748849) is (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone is CCOC1(C(=O)c2cccc(OC)c2F)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is WTYWHFHBGQZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-3-20-15(7-9-19-10-8-15)14(17)11-5-4-6-12(18-2)13(11)16/h4-6H,3,7-10H2,1-2H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone?
(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 282.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).