(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one

C15H20O3 — CID 102347699

IUPAC(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one
SMILESO=C1CCC[C@]1(O)CCCCOc1ccccc1
InChIInChI=1S/C15H20O3/c16-14-9-6-11-15(14,17)10-4-5-12-18-13-7-2-1-3-8-13/h1-3,7-8,17H,4-6,9-12H2/t15-/m1/s1
InChIKeyULCAECGJJTYNSP-OAHLLOKOSA-N
MW248.32 g/mol
LogP2.72
Rot. Bonds6

About (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one

(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one (PubChem CID 102347699) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one
PubChem CID102347699
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one
SMILESO=C1CCC[C@]1(O)CCCCOc1ccccc1
InChIInChI=1S/C15H20O3/c16-14-9-6-11-15(14,17)10-4-5-12-18-13-7-2-1-3-8-13/h1-3,7-8,17H,4-6,9-12H2/t15-/m1/s1
InChIKeyULCAECGJJTYNSP-OAHLLOKOSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
9,9-dioxo-3-(2-phenoxyethyl)-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171961182
12-phenoxydodecylphosphonic acid
CID 102430070
7-phenoxyheptan-1-ol
CID 15856264
3-hydroxy-3-(3-phenoxypropyl)-2H-isoindol-1-one
CID 102212761
9-phenoxynonanoic acid
CID 15887638
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one (CID 102347699) is (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one is O=C1CCC[C@]1(O)CCCCOc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one?
The InChIKey is ULCAECGJJTYNSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20O3/c16-14-9-6-11-15(14,17)10-4-5-12-18-13-7-2-1-3-8-13/h1-3,7-8,17H,4-6,9-12H2/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one?
(2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-phenoxybutyl)cyclopentan-1-one is sourced from PubChem (CID 102347699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).