(3R)-3-phenyloxan-4-one

C11H12O2 — CID 95165340

IUPAC(3R)-3-phenyloxan-4-one
SMILESO=C1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyMDQJKNSUIDXBFD-JTQLQIEISA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds1

About (3R)-3-phenyloxan-4-one

(3R)-3-phenyloxan-4-one (PubChem CID 95165340) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (3R)-3-phenyloxan-4-one.

Molecular Properties

Compound Name(3R)-3-phenyloxan-4-one
PubChem CID95165340
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(3R)-3-phenyloxan-4-one
SMILESO=C1CCOC[C@H]1c1ccccc1
InChIInChI=1S/C11H12O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1
InChIKeyMDQJKNSUIDXBFD-JTQLQIEISA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-4-pyridinyl)oxan-4-one
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3-anilinooxan-4-one
CID 175322067
3-benzyloxan-4-one
CID 58654175
3-(5-hydroxy-3-pyridinyl)oxan-4-one
CID 172993012
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one
CID 13462752
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473911
(3R)-3-phenyloxolane
CID 92859476
(3R,3aS,8aR)-1-benzyl-3-(3-fluorophenyl)-3,3a,5,6,8,8a-hexahydro-2H-oxepino[3,4-b]pyrrol-4-one
CID 97312314
2-[(4-oxooxan-3-yl)methyl]isoindole-1,3-dione
CID 82277834
3-bromooxan-4-one
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3-sulfanyloxan-4-one
CID 57433279

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyloxan-4-one?
The IUPAC name of (3R)-3-phenyloxan-4-one (CID 95165340) is (3R)-3-phenyloxan-4-one.
What is the SMILES notation for (3R)-3-phenyloxan-4-one?
The canonical SMILES for (3R)-3-phenyloxan-4-one is O=C1CCOC[C@H]1c1ccccc1.
What is the InChIKey of (3R)-3-phenyloxan-4-one?
The InChIKey is MDQJKNSUIDXBFD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12O2/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m0/s1.
What are the key properties of (3R)-3-phenyloxan-4-one?
(3R)-3-phenyloxan-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyloxan-4-one is sourced from PubChem (CID 95165340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).