(3S)-3-phenylcyclopentan-1-one

C11H12O — CID 10931730

IUPAC(3S)-3-phenylcyclopentan-1-one
SMILESO=C1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyMFBXYJLOYZMFIN-JTQLQIEISA-N
MW160.22 g/mol
LogP2.52
Rot. Bonds1

About (3S)-3-phenylcyclopentan-1-one

(3S)-3-phenylcyclopentan-1-one (PubChem CID 10931730) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (3S)-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-phenylcyclopentan-1-one
PubChem CID10931730
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(3S)-3-phenylcyclopentan-1-one
SMILESO=C1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyMFBXYJLOYZMFIN-JTQLQIEISA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylcyclopentan-1-one?
The IUPAC name of (3S)-3-phenylcyclopentan-1-one (CID 10931730) is (3S)-3-phenylcyclopentan-1-one.
What is the SMILES notation for (3S)-3-phenylcyclopentan-1-one?
The canonical SMILES for (3S)-3-phenylcyclopentan-1-one is O=C1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-3-phenylcyclopentan-1-one?
The InChIKey is MFBXYJLOYZMFIN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (3S)-3-phenylcyclopentan-1-one?
(3S)-3-phenylcyclopentan-1-one has a molecular weight of 160.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylcyclopentan-1-one is sourced from PubChem (CID 10931730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).