3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one

C17H24O2 — CID 63953733

IUPAC3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C17H24O2/c1-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-3-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyWCZQDVLJEFNAKE-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds5

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

3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 63953733) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
PubChem CID63953733
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(=O)CCC2CCCCO2)cc1
InChIInChI=1S/C17H24O2/c1-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-3-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyWCZQDVLJEFNAKE-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

1-(4-butan-2-ylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65154915
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
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(3,4-dichlorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 65155022
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 138034031
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one (CID 63953733) is 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one is CC(C)c1ccc(C(=O)CCC2CCCCO2)cc1.
What is the InChIKey of 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is WCZQDVLJEFNAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13(2)14-6-8-15(9-7-14)17(18)11-10-16-5-3-4-12-19-16/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one?
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 63953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).