(3R)-3-phenylmethoxyoxan-4-one

C12H14O3 — CID 59445816

IUPAC(3R)-3-phenylmethoxyoxan-4-one
SMILESO=C1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H14O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1
InChIKeyOCOMMWYINSLHTC-GFCCVEGCSA-N
MW206.24 g/mol
LogP1.56
Rot. Bonds3

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

(3R)-3-phenylmethoxyoxan-4-one (PubChem CID 59445816) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3R)-3-phenylmethoxyoxan-4-one.

Molecular Properties

Compound Name(3R)-3-phenylmethoxyoxan-4-one
PubChem CID59445816
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3R)-3-phenylmethoxyoxan-4-one
SMILESO=C1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C12H14O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1
InChIKeyOCOMMWYINSLHTC-GFCCVEGCSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-3-phenylmethoxypiperidin-4-one
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3-phenylmethoxy-5-(2,2,2-trifluoroacetyl)oxan-4-one
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(3R)-3-phenyloxan-4-one
CID 95165340
4-phenylmethoxyoxane
CID 66554133
(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylmethoxyoxan-4-one?
The IUPAC name of (3R)-3-phenylmethoxyoxan-4-one (CID 59445816) is (3R)-3-phenylmethoxyoxan-4-one.
What is the SMILES notation for (3R)-3-phenylmethoxyoxan-4-one?
The canonical SMILES for (3R)-3-phenylmethoxyoxan-4-one is O=C1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of (3R)-3-phenylmethoxyoxan-4-one?
The InChIKey is OCOMMWYINSLHTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-5,12H,6-9H2/t12-/m1/s1.
What are the key properties of (3R)-3-phenylmethoxyoxan-4-one?
(3R)-3-phenylmethoxyoxan-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylmethoxyoxan-4-one is sourced from PubChem (CID 59445816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).