1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one

C17H24O2 — CID 65154915

IUPAC1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCCC(C)c1ccc(C(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H24O2/c1-3-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyONPMCOYUDVNLOD-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one

1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65154915) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65154915
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCCC(C)c1ccc(C(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H24O2/c1-3-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyONPMCOYUDVNLOD-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
2-[3-bromo-3-(4-butan-2-ylphenyl)propyl]oxolane
CID 65158164
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
2-[3-bromo-3-(4-butan-2-ylphenyl)propyl]oxane
CID 63951386
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one (CID 65154915) is 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one is CCC(C)c1ccc(C(=O)CCC2CCCO2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ONPMCOYUDVNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65154915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).