1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one

C17H17FO2 — CID 146006844

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(F)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H17FO2/c1-3-14(12-7-5-4-6-8-12)17(19)13-9-10-15(18)16(11-13)20-2/h4-11,14H,3H2,1-2H3
InChIKeyZOYLRXTZKQAGTE-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one

1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one (PubChem CID 146006844) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
PubChem CID146006844
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(F)c(OC)c1)c1ccccc1
InChIInChI=1S/C17H17FO2/c1-3-14(12-7-5-4-6-8-12)17(19)13-9-10-15(18)16(11-13)20-2/h4-11,14H,3H2,1-2H3
InChIKeyZOYLRXTZKQAGTE-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(4-fluoro-3-methoxyphenyl)butan-1-one
CID 146006827
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
1,2-bis(4-hydroxy-3-methoxyphenyl)butan-1-one
CID 162941342
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one (CID 146006844) is 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one is CCC(C(=O)c1ccc(F)c(OC)c1)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one?
The InChIKey is ZOYLRXTZKQAGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-14(12-7-5-4-6-8-12)17(19)13-9-10-15(18)16(11-13)20-2/h4-11,14H,3H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one?
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one has a molecular weight of 272.32 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 146006844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).