(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one

C17H20O3 — CID 91279306

IUPAC(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one
SMILESO=C(c1ccccc1)C1CC[C@H](C2(O)CCCC2)C1=O
InChIInChI=1S/C17H20O3/c18-15(12-6-2-1-3-7-12)13-8-9-14(16(13)19)17(20)10-4-5-11-17/h1-3,6-7,13-14,20H,4-5,8-11H2/t13?,14-/m0/s1
InChIKeyLMVIVWCNBWHTSS-KZUDCZAMSA-N
MW272.34 g/mol
LogP2.77
Rot. Bonds3

About (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one

(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one (PubChem CID 91279306) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one.

Molecular Properties

Compound Name(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one
PubChem CID91279306
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one
SMILESO=C(c1ccccc1)C1CC[C@H](C2(O)CCCC2)C1=O
InChIInChI=1S/C17H20O3/c18-15(12-6-2-1-3-7-12)13-8-9-14(16(13)19)17(20)10-4-5-11-17/h1-3,6-7,13-14,20H,4-5,8-11H2/t13?,14-/m0/s1
InChIKeyLMVIVWCNBWHTSS-KZUDCZAMSA-N
XLogP2.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3-Hydroxy-3-methyl-1-phenylbutan-1-one
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alpha-Benzoyloleic acid
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3-Hydroxy-3,4-dimethyl-1-phenylpentan-1-one
CID 11127442
1-Oxo-2-indanecarboxylic acid
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cis-3-Benzoylcyclopentane-1-carboxylic acid
CID 24722291
2-(Hydroxymethyl)-3-methyl-1-phenylbutan-1-one
CID 71381110
p-Hydrophenylacetic acid
CID 129690640
4-(1-Hydroxycyclohexyl)-1-phenylbutane-1,3-dione
CID 241654
3-Hydroxy-2,2,3-trimethyl-1-phenylbutan-1-one
CID 14249637

Frequently Asked Questions

What is the IUPAC name of (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one?
The IUPAC name of (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one (CID 91279306) is (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one.
What is the SMILES notation for (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one?
The canonical SMILES for (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one is O=C(c1ccccc1)C1CC[C@H](C2(O)CCCC2)C1=O.
What is the InChIKey of (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one?
The InChIKey is LMVIVWCNBWHTSS-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H20O3/c18-15(12-6-2-1-3-7-12)13-8-9-14(16(13)19)17(20)10-4-5-11-17/h1-3,6-7,13-14,20H,4-5,8-11H2/t13?,14-/m0/s1.
What are the key properties of (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one?
(5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one has a molecular weight of 272.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-benzoyl-5-(1-hydroxycyclopentyl)cyclopentan-1-one is sourced from PubChem (CID 91279306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).