(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one

C14H18O2 — CID 131856375

IUPAC(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one
SMILESC[C@@H](Cc1ccccc1)[C@H]1CCCC(=O)O1
InChIInChI=1S/C14H18O2/c1-11(10-12-6-3-2-4-7-12)13-8-5-9-14(15)16-13/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13+/m0/s1
InChIKeyBVPKMAVQFAHVAM-WCQYABFASA-N
MW218.30 g/mol
LogP2.96
Rot. Bonds3

About (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one

(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one (PubChem CID 131856375) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one
PubChem CID131856375
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one
SMILESC[C@@H](Cc1ccccc1)[C@H]1CCCC(=O)O1
InChIInChI=1S/C14H18O2/c1-11(10-12-6-3-2-4-7-12)13-8-5-9-14(15)16-13/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13+/m0/s1
InChIKeyBVPKMAVQFAHVAM-WCQYABFASA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one?
The IUPAC name of (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one (CID 131856375) is (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one.
What is the SMILES notation for (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one?
The canonical SMILES for (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one is C[C@@H](Cc1ccccc1)[C@H]1CCCC(=O)O1.
What is the InChIKey of (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one?
The InChIKey is BVPKMAVQFAHVAM-WCQYABFASA-N. The full InChI is InChI=1S/C14H18O2/c1-11(10-12-6-3-2-4-7-12)13-8-5-9-14(15)16-13/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one?
(6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2S)-1-phenylpropan-2-yl]oxan-2-one is sourced from PubChem (CID 131856375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).