1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one

C18H19FO2 — CID 43793564

IUPAC1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1cccc(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FO2/c1-13(2)15-4-3-5-17(12-15)21-11-10-18(20)14-6-8-16(19)9-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVWOIAEJRGOVIEU-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one

1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one (PubChem CID 43793564) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
PubChem CID43793564
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1cccc(OCCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FO2/c1-13(2)15-4-3-5-17(12-15)21-11-10-18(20)14-6-8-16(19)9-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyVWOIAEJRGOVIEU-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(3-propan-2-ylphenoxy)butan-2-one
CID 92931897
3-(3,5-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793611
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-(2,4-difluorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43612562
1-[4-[2-(3-propan-2-ylphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780507
3-(4-chloro-3-ethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 63567261
3-[4-(4-fluorophenyl)-4-oxobutoxy]benzonitrile
CID 60643686
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one (CID 43793564) is 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one is CC(C)c1cccc(OCCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one?
The InChIKey is VWOIAEJRGOVIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-13(2)15-4-3-5-17(12-15)21-11-10-18(20)14-6-8-16(19)9-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one?
1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one has a molecular weight of 286.35 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 43793564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).