(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

C16H15FO3 — CID 43561120

IUPAC(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H15FO3/c1-3-20-12-6-4-11(5-7-12)16(18)14-9-8-13(19-2)10-15(14)17/h4-10H,3H2,1-2H3
InChIKeyLEUQKJYMWPHDNG-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.46
Rot. Bonds5

About (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 43561120) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID43561120
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C16H15FO3/c1-3-20-12-6-4-11(5-7-12)16(18)14-9-8-13(19-2)10-15(14)17/h4-10H,3H2,1-2H3
InChIKeyLEUQKJYMWPHDNG-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
(E)-3-(4-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78787189
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 43561120) is (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is LEUQKJYMWPHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-3-20-12-6-4-11(5-7-12)16(18)14-9-8-13(19-2)10-15(14)17/h4-10H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 274.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 43561120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).