1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one

C16H20O2 — CID 102652750

IUPAC1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1=CCCO1)c1ccccc1
InChIInChI=1S/C16H20O2/c1-3-12(2)15(13-8-5-4-6-9-13)16(17)14-10-7-11-18-14/h4-6,8-10,12,15H,3,7,11H2,1-2H3
InChIKeyFTLCRMUQSDRYOB-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.69
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one

1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one (PubChem CID 102652750) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
PubChem CID102652750
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCC(C)C(C(=O)C1=CCCO1)c1ccccc1
InChIInChI=1S/C16H20O2/c1-3-12(2)15(13-8-5-4-6-9-13)16(17)14-10-7-11-18-14/h4-6,8-10,12,15H,3,7,11H2,1-2H3
InChIKeyFTLCRMUQSDRYOB-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829
3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
CID 63927480
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003
3-methyl-1-(oxolan-3-yl)-2-phenylpentan-1-one
CID 114972015
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
1-(3-chlorothiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 80530061
1-(3,5-dimethylthiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 81156104
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
1-(4,5-dibromothiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 80532609

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one (CID 102652750) is 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one is CCC(C)C(C(=O)C1=CCCO1)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one?
The InChIKey is FTLCRMUQSDRYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-3-12(2)15(13-8-5-4-6-9-13)16(17)14-10-7-11-18-14/h4-6,8-10,12,15H,3,7,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one?
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 102652750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).