3-(4-butylphenoxy)-1-phenylpropan-1-one

C19H22O2 — CID 116692186

IUPAC3-(4-butylphenoxy)-1-phenylpropan-1-one
SMILESCCCCc1ccc(OCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-7-16-10-12-18(13-11-16)21-15-14-19(20)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3
InChIKeyIQCIBTVBSILZTK-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.68
Rot. Bonds8

About 3-(4-butylphenoxy)-1-phenylpropan-1-one

3-(4-butylphenoxy)-1-phenylpropan-1-one (PubChem CID 116692186) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(4-butylphenoxy)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-butylphenoxy)-1-phenylpropan-1-one
PubChem CID116692186
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(4-butylphenoxy)-1-phenylpropan-1-one
SMILESCCCCc1ccc(OCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-7-16-10-12-18(13-11-16)21-15-14-19(20)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3
InChIKeyIQCIBTVBSILZTK-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
6-(4-butylphenoxy)hexan-2-one
CID 115492852
1-phenyl-3-[4-(4,4,4-trifluorobutoxy)phenyl]propan-1-one
CID 144977551
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;1-[4-(3-amino-4-hydroxy-3-methylbutyl)phenyl]octan-1-one;2-amino-2-methyl-4-[4-(4-phenylbutoxy)phenyl]butan-1-ol;hydrochloride
CID 160514502
acetic acid;butoxybenzene
CID 162338086
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenoxy)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-butylphenoxy)-1-phenylpropan-1-one (CID 116692186) is 3-(4-butylphenoxy)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-butylphenoxy)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-butylphenoxy)-1-phenylpropan-1-one is CCCCc1ccc(OCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-butylphenoxy)-1-phenylpropan-1-one?
The InChIKey is IQCIBTVBSILZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-7-16-10-12-18(13-11-16)21-15-14-19(20)17-8-5-4-6-9-17/h4-6,8-13H,2-3,7,14-15H2,1H3.
What are the key properties of 3-(4-butylphenoxy)-1-phenylpropan-1-one?
3-(4-butylphenoxy)-1-phenylpropan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenoxy)-1-phenylpropan-1-one is sourced from PubChem (CID 116692186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).