(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one

C15H20O4 — CID 135042856

IUPAC(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one
SMILESCOCO[C@H](c1ccccc1)[C@H](O)[C@H]1CCCC1=O
InChIInChI=1S/C15H20O4/c1-18-10-19-15(11-6-3-2-4-7-11)14(17)12-8-5-9-13(12)16/h2-4,6-7,12,14-15,17H,5,8-10H2,1H3/t12-,14+,15+/m0/s1
InChIKeyFBCBRXRUKXQRAK-NWANDNLSSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds6

About (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one

(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one (PubChem CID 135042856) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one
PubChem CID135042856
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one
SMILESCOCO[C@H](c1ccccc1)[C@H](O)[C@H]1CCCC1=O
InChIInChI=1S/C15H20O4/c1-18-10-19-15(11-6-3-2-4-7-11)14(17)12-8-5-9-13(12)16/h2-4,6-7,12,14-15,17H,5,8-10H2,1H3/t12-,14+,15+/m0/s1
InChIKeyFBCBRXRUKXQRAK-NWANDNLSSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one?
The IUPAC name of (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one (CID 135042856) is (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one?
The canonical SMILES for (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one is COCO[C@H](c1ccccc1)[C@H](O)[C@H]1CCCC1=O.
What is the InChIKey of (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one?
The InChIKey is FBCBRXRUKXQRAK-NWANDNLSSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-10-19-15(11-6-3-2-4-7-11)14(17)12-8-5-9-13(12)16/h2-4,6-7,12,14-15,17H,5,8-10H2,1H3/t12-,14+,15+/m0/s1.
What are the key properties of (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one?
(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one has a molecular weight of 264.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one is sourced from PubChem (CID 135042856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).