2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone

C17H17FO2 — CID 114963475

IUPAC2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO2/c1-3-12-4-6-13(7-5-12)10-16(19)14-8-9-15(18)17(11-14)20-2/h4-9,11H,3,10H2,1-2H3
InChIKeyNIGMOBTXYIFPDQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone

2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone (PubChem CID 114963475) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
PubChem CID114963475
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C17H17FO2/c1-3-12-4-6-13(7-5-12)10-16(19)14-8-9-15(18)17(11-14)20-2/h4-9,11H,3,10H2,1-2H3
InChIKeyNIGMOBTXYIFPDQ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
1-(4-fluoro-3-methoxyphenyl)-4-methoxybutan-1-one
CID 115815632
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone (CID 114963475) is 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(F)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is NIGMOBTXYIFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-12-4-6-13(7-5-12)10-16(19)14-8-9-15(18)17(11-14)20-2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone?
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 272.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 114963475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).