3-cyclopentyl-1-phenylpropan-1-one

C14H17O+ — CID 123648474

IUPAC3-cyclopentyl-1-phenylpropan-1-one
SMILESO=C(CC[C+]1CCCC1)c1ccccc1
InChIInChI=1S/C14H17O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-3,8-9H,4-7,10-11H2/q+1
InChIKeyNTXWXQDSTOMHJM-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.80
Rot. Bonds4

About 3-cyclopentyl-1-phenylpropan-1-one

3-cyclopentyl-1-phenylpropan-1-one (PubChem CID 123648474) has the molecular formula C14H17O+ and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-cyclopentyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-phenylpropan-1-one
PubChem CID123648474
Molecular FormulaC14H17O+
Molecular Weight201.29 g/mol
Exact Mass201.13
IUPAC Name3-cyclopentyl-1-phenylpropan-1-one
SMILESO=C(CC[C+]1CCCC1)c1ccccc1
InChIInChI=1S/C14H17O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-3,8-9H,4-7,10-11H2/q+1
InChIKeyNTXWXQDSTOMHJM-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-[2-(3-oxo-3-phenylpropyl)sulfanylethylsulfanyl]-1-phenylpropan-1-one
CID 4144349
chlorobenzene;2-chloro-1-phenylethanone
CID 21408930
methanethiol;1-phenylbutan-1-one
CID 143799522
5-oxo-5-phenylpentanamide
CID 3787245

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-phenylpropan-1-one?
The IUPAC name of 3-cyclopentyl-1-phenylpropan-1-one (CID 123648474) is 3-cyclopentyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-phenylpropan-1-one?
The canonical SMILES for 3-cyclopentyl-1-phenylpropan-1-one is O=C(CC[C+]1CCCC1)c1ccccc1.
What is the InChIKey of 3-cyclopentyl-1-phenylpropan-1-one?
The InChIKey is NTXWXQDSTOMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O/c15-14(13-8-2-1-3-9-13)11-10-12-6-4-5-7-12/h1-3,8-9H,4-7,10-11H2/q+1.
What are the key properties of 3-cyclopentyl-1-phenylpropan-1-one?
3-cyclopentyl-1-phenylpropan-1-one has a molecular weight of 201.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-phenylpropan-1-one is sourced from PubChem (CID 123648474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).